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  • 2,5-bis(2-ethylhexyl)-3-(5-broMo-thiophene-2-yl)-6-(thiophene-2-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione

  • 2,5-bis(2-ethylhexyl)-3-(5-broMo-thiophene-2-yl)-6-(thiophene-2-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione

    Catalog Number
    ACM1308671900-1
    CAS Number
    1308671-90-0
    Product Name
    2,5-bis(2-ethylhexyl)-3-(5-broMo-thiophene-2-yl)-6-(thiophene-2-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione
    Structure
    Category
    Organic Light-Emitting Diode (OLED) Materials
    IUPAC Name
    4-(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
    Molecular Weight
    603.7g/mol
    Molecular Formula
    C30H39BrN2O2S2
    Canonical SMILES
    CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)Br)C1=O)C4=CC=CS4
    InChI
    InChI=1S/C30H39BrN2O2S2/c1-5-9-12-20(7-3)18-32-27(22-14-11-17-36-22)25-26(30(32)35)28(23-15-16-24(31)37-23)33(29(25)34)19-21(8-4)13-10-6-2/h11,14-17,20-21H,5-10,12-13,18-19H2,1-4H3
    InChI Key
    IUJFPKGBQVGKRW-UHFFFAOYSA-N
    Complexity
    904
    Covalently-Bonded Unit Count
    1
    Exact Mass
    602.16363g/mol
    Formal Charge
    0
    Heavy Atom Count
    37
    Monoisotopic Mass
    602.16363g/mol
    Rotatable Bond Count
    14
    XLogP3
    8.9
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