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  • 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine

  • 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine

    Catalog Number
    ACM124729982-4
    Product Name
    4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
    Structure
    CAS
    124729-98-2
    Category
    Organic Light-Emitting Diode (OLED) Materials
    Synonyms
    m-TDATA
    IUPAC Name
    4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
    Molecular Weight
    789.03
    Molecular Formula
    C57H48N4
    Canonical SMILES
    CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC(=C9)C
    InChI
    InChI=1S/C57H48N4/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57/h4-42H,1-3H3
    InChI Key
    DIVZFUBWFAOMCW-UHFFFAOYSA-N
    Boiling Point
    203 - 207 °C
    Purity
    95%+
    Density
    1.190 ± 0.06 g/ml
    Appearance
    Powder
    Complexity
    1090
    Covalently-Bonded Unit Count
    1
    Exact Mass
    788.387898g/mol
    Formal Charge
    0
    Heavy Atom Count
    61
    Monoisotopic Mass
    788.387898g/mol
    Rotatable Bond Count
    12
    XLogP3
    16
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