N-[N-[2-benzyl-3-phenyl-2-(1,3,6-triphenylcarbazol-9-yl)pent-3-enyl]-C-phenylcarbonimidoyl]-N'-methylbenzenecarboximidamide

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  • Identifiers

    CAS number
    84961-67-1

    Molecular formula
    C63H52N4

    SMILES
    CC=C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(CN=C(C3=CC=CC=C3)NC(=NC)C4=CC=CC=C4)N5C6=C(C=C(C=C6)C7=CC=CC=C7)C8=C5C(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 59.57%
    Fruity 42.82%
    Rose 38.25%
    Fresh 33.8%
    Neroli 27.53%
    Grape 25.6%
    Green 24.86%
    Animal 24.79%
    Balsamic 24.59%
    Fatty 24.13%

     

    Flavor
    Bitter 76.18%
    Nitrile 18.79%
    Oriental 17.36%
    Moth ball 17.28%
    Very strong 17.27%
    Indole 17.11%
    Naphthelene 16.96%
    Heather 16.95%
    Broom 16.89%
    Odorless 16.85%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    15.6

    pKa est.
    7.36 (neutral)

    Molecular weight
    865.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5100°C

    Flash point

    • 342.48 ˚C est.

  • Synonyms

    • FJRFSKLTWSXANF-UHFFFAOYSA-N
    • 84961-67-1
    • N-[N-[(Z)-2-benzyl-3-phenyl-2-(1,3,6-triphenylcarbazol-9-yl)pent-3-enyl]-C-phenylcarbonimidoyl]-N'-methylbenzenecarboximidamide
    • 84961-67-1

  • Applications

    N-[N-[2-benzyl-3-phenyl-2-(1,3,6-triphenylcarbazol-9-yl)pent-3-enyl]-C-phenylcarbonimidoyl]-N'-methylbenzenecarboximidamide (CAS 84961-67-1) is commonly evaluated as an advanced organic building block for conjugated materials in research and development. It is often used as a precursor or intermediate for the synthesis of conjugated dyes and oligomers employed in electronics research, including OLEDs and organic photovoltaic (OPV) devices. The carbazole core and vinyl linker support incorporation into hole-transport materials and into crosslinkable polymer systems for coatings and inks. It may also function as a fluorescent or optically active component in laboratory studies and can be considered a potential monomer or co-monomer in specialty coatings, inks, and adhesive formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 1.29
    isopropanol 0.85
    water 0.03
    ethyl acetate 14.24
    n-propanol 1.85
    acetone 6.88
    n-butanol 2.11
    acetonitrile 1.81
    DMF 18.0
    toluene 21.42
    isobutanol 1.52
    1,4-dioxane 12.02
    methyl acetate 12.2
    THF 42.74
    2-butanone 12.79
    n-pentanol 2.29
    sec-butanol 1.66
    n-hexane 0.63
    ethylene glycol 0.57
    NMP 61.07
    cyclohexane 0.56
    DMSO 9.55
    n-butyl acetate 12.05
    n-octanol 1.94
    chloroform 119.68
    n-propyl acetate 10.63
    acetic acid 7.91
    dichloromethane 85.82
    cyclohexanone 29.04
    propylene glycol 0.96
    isopropyl acetate 11.64
    DMAc 45.03
    2-ethoxyethanol 5.03
    isopentanol 2.09
    n-heptane 0.74
    ethyl formate 8.55
    1,2-dichloroethane 27.88
    n-hexanol 2.3
    2-methoxyethanol 5.69
    isobutyl acetate 8.51
    tetrachloromethane 12.76
    n-pentyl acetate 13.08
    transcutol 12.7
    n-heptanol 2.27
    ethylbenzene 8.09
    MIBK 8.57
    2-propoxyethanol 8.76
    tert-butanol 1.08
    MTBE 3.85
    2-butoxyethanol 6.94
    propionic acid 7.77
    o-xylene 10.33
    formic acid 3.74
    diethyl ether 4.97
    m-xylene 11.76
    p-xylene 9.93
    chlorobenzene 44.61
    dimethyl carbonate 22.93
    n-octane 0.39
    formamide 4.21
    cyclopentanone 44.13
    2-pentanone 12.92
    anisole 16.18
    cyclopentyl methyl ether 18.92
    gamma-butyrolactone 59.19
    1-methoxy-2-propanol 6.13
    pyridine 30.57
    3-pentanone 14.84
    furfural 57.29
    n-dodecane 0.29
    diethylene glycol 4.17
    diisopropyl ether 2.28
    tert-amyl alcohol 2.09
    acetylacetone 23.61
    n-hexadecane 0.35
    acetophenone 21.15
    methyl propionate 18.93
    isopentyl acetate 12.11
    trichloroethylene 114.92
    n-nonanol 2.51
    cyclohexanol 3.62
    benzyl alcohol 10.98
    2-ethylhexanol 2.98
    isooctanol 2.32
    dipropyl ether 6.39
    1,2-dichlorobenzene 44.05
    ethyl lactate 7.82
    propylene carbonate 37.81
    n-methylformamide 7.67
    2-pentanol 1.87
    n-pentane 0.48
    1-propoxy-2-propanol 8.08
    1-methoxy-2-propyl acetate 23.71
    2-(2-methoxypropoxy) propanol 10.33
    mesitylene 5.33
    ε-caprolactone 35.46
    p-cymene 5.0
    epichlorohydrin 60.95
    1,1,1-trichloroethane 34.08
    2-aminoethanol 1.22
    morpholine-4-carbaldehyde 34.19
    sulfolane 72.54
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 18.23
    n-hexyl acetate 10.18
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 8.66
    sec-butyl acetate 9.68
    tert-butyl acetate 11.41
    decalin 0.77
    glycerin 2.55
    diglyme 17.59
    acrylic acid 10.99
    isopropyl myristate 4.67
    n-butyric acid 11.94
    acetyl acetate 16.31
    di(2-ethylhexyl) phthalate 7.65
    ethyl propionate 13.48
    nitromethane 17.37
    1,2-diethoxyethane 9.27
    benzonitrile 12.08
    trioctyl phosphate 4.47
    1-bromopropane 13.92
    gamma-valerolactone 55.87
    n-decanol 1.78
    triethyl phosphate 10.12
    4-methyl-2-pentanol 1.75
    propionitrile 3.74
    vinylene carbonate 45.71
    1,1,2-trichlorotrifluoroethane 54.81
    DMS 21.38
    cumene 4.64
    2-octanol 1.8
    2-hexanone 10.02
    octyl acetate 5.98
    limonene 5.24
    1,2-dimethoxyethane 10.46
    ethyl orthosilicate 9.36
    tributyl phosphate 5.83
    diacetone alcohol 9.55
    N,N-dimethylaniline 11.51
    acrylonitrile 6.5
    aniline 16.59
    1,3-propanediol 1.91
    bromobenzene 55.31
    dibromomethane 44.42
    1,1,2,2-tetrachloroethane 73.51
    2-methyl-cyclohexyl acetate 12.12
    tetrabutyl urea 7.42
    diisobutyl methanol 2.22
    2-phenylethanol 10.41
    styrene 11.16
    dioctyl adipate 9.17
    dimethyl sulfate 46.5
    ethyl butyrate 12.88
    methyl lactate 12.3
    butyl lactate 10.97
    diethyl carbonate 9.61
    propanediol butyl ether 4.61
    triethyl orthoformate 12.16
    p-tert-butyltoluene 4.76
    methyl 4-tert-butylbenzoate 18.13
    morpholine 12.41
    tert-butylamine 0.74
    n-dodecanol 1.33
    dimethoxymethane 16.82
    ethylene carbonate 29.5
    cyrene 19.39
    2-ethoxyethyl acetate 22.35
    2-ethylhexyl acetate 11.77
    1,2,4-trichlorobenzene 55.35
    4-methylpyridine 31.07
    dibutyl ether 3.96
    2,6-dimethyl-4-heptanol 2.22
    DEF 19.41
    dimethyl isosorbide 28.14
    tetrachloroethylene 51.34
    eugenol 14.51
    triacetin 18.1
    span 80 9.22
    1,4-butanediol 1.09
    1,1-dichloroethane 25.22
    2-methyl-1-pentanol 2.89
    methyl formate 9.63
    2-methyl-1-butanol 2.51
    n-decane 0.56
    butyronitrile 3.53
    3,7-dimethyl-1-octanol 2.59
    1-chlorooctane 2.42
    1-chlorotetradecane 1.06
    n-nonane 0.47
    undecane 0.38
    tert-butylcyclohexane 0.68
    cyclooctane 0.45
    cyclopentanol 4.3
    tetrahydropyran 10.8
    tert-amyl methyl ether 5.77
    2,5,8-trioxanonane 13.58
    1-hexene 2.55
    2-isopropoxyethanol 4.79
    2,2,2-trifluoroethanol 8.23
    methyl butyrate 14.85

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction