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  • 4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

  • 4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole

    Catalog Number
    ACM444579399
    CAS Number
    444579-39-9
    Product Name
    4,7-bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole
    Category
    Organic Light-Emitting Diode (OLED) Materials
    IUPAC Name
    4,7-bis(5-bromo-4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
    Molecular Weight
    626.5g/mol
    Molecular Formula
    C26H30Br2N2S3
    Canonical SMILES
    CCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)Br
    InChI
    InChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-15-21(31-25(17)27)19-13-14-20(24-23(19)29-33-30-24)22-16-18(26(28)32-22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
    InChI Key
    NEMDYXXOEXNCJZ-UHFFFAOYSA-N
    Complexity
    538
    Covalently-Bonded Unit Count
    1
    Exact Mass
    625.99174g/mol
    Formal Charge
    0
    Heavy Atom Count
    33
    Monoisotopic Mass
    623.99379g/mol
    Rotatable Bond Count
    12
    XLogP3
    12.5
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