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  • 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

  • 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

    Catalog Number
    ACM1260685639
    CAS Number
    1260685-63-9
    Product Name
    3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
    Structure
    Category
    Organic Light-Emitting Diode (OLED) Materials
    IUPAC Name
    1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
    Molecular Weight
    1019.2g/mol
    Molecular Formula
    C54H86Br2N2O2S2
    Canonical SMILES
    CCCCCCCCCCC(CCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCC)CCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
    InChI
    InChI=1S/C54H86Br2N2O2S2/c1-5-9-13-17-21-23-27-31-35-43(33-29-25-19-15-11-7-3)41-57-51(45-37-39-47(55)61-45)49-50(53(57)59)52(46-38-40-48(56)62-46)58(54(49)60)42-44(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h37-40,43-44H,5-36,41-42H2,1-4H3
    InChI Key
    MULORLONPRJAON-UHFFFAOYSA-N
    Complexity
    1220
    Covalently-Bonded Unit Count
    1
    Exact Mass
    1018.4477g/mol
    Formal Charge
    0
    Heavy Atom Count
    62
    Monoisotopic Mass
    1016.44975g/mol
    Rotatable Bond Count
    38
    XLogP3
    22.9
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