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  • 5,6,11,12-Tetraphenylnaphthacene

    • 5,6,11,12-Tetraphenylnaphthacene

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    Catalog Number
    ACM517511-3
    CAS Number
    517-51-1
    Product Name
    5,6,11,12-Tetraphenylnaphthacene
    Structure
    Category
    Carbon Nanomaterials; Electroluminescence Materials; Organic Field Effect Transistor (OFET) Materials; Organic Light-Emitting Diode (OLED) Materials; Perovskite Solar Cell (PSC) Materials
    Synonyms
    Rubrene
    IUPAC Name
    5,6,11,12-tetraphenyltetracene
    Molecular Weight
    532.69
    Molecular Formula
    C42H28
    Canonical SMILES
    C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
    InChI
    InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
    InChI Key
    YYMBJDOZVAITBP-UHFFFAOYSA-N
    Melting Point
    331 °C
    Purity
    >98.0%GC
    Appearance
    Light yellow to Brown powder to crystal
    Storage
    Store under inert gas
    Complexity
    696
    Covalently-Bonded Unit Count
    1
    EC Number
    208-242-0
    Exact Mass
    532.219101g/mol
    Formal Charge
    0
    Hazard Statements
    H413 : May cause long lasting harmful effects to aquatic life.
    Heavy Atom Count
    42
    MDL Number
    MFCD00003703
    MeSH Entry Terms
    5,6,11,12-tetraphenylnaphthacene;rubrene;rubreneperoxide
    Monoisotopic Mass
    532.219101g/mol
    NSC Number
    614322;16080
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
    Rotatable Bond Count
    4
    Signal Word
    Warning
    XLogP3
    12.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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