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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
    CAS Number
    124729-98-2
    Product Name
    4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
    Structure
    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
    Application
    4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine serves as an efficient material for the hole-injection layer in high-performance OLEDs. Its low solid-state ionization potential and the ability to form a high-quality amorphous film enable it to enhance the injection of holes from the ITO electrode into the hole transporting layer, thereby potentially reducing the driving voltage required for OLED devices. When used in conjunction with the strong electron acceptor F4-TCNQ as a p-doping agent, it further improves the conductivity of the hole transporting layer buffering layer. This application typically adheres to a device structure of ITO/p-doped 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine/HTL/etc.
    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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