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  • 2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

  • 2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

    Catalog Number
    ACM1269004467
    CAS Number
    1269004-46-7
    Product Name
    2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
    Category
    Organic Light-Emitting Diode (OLED) Materials
    IUPAC Name
    2,5-bis(2-ethylhexyl)-1,4-bis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione
    Molecular Weight
    776.7g/mol
    Molecular Formula
    C42H62B2N2O6S2
    Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=C4C(=C(N(C4=O)CC(CC)CCCC)C5=CC=C(S5)B6OC(C(O6)(C)C)(C)C)C(=O)N3CC(CC)CCCC
    InChI
    InChI=1S/C42H62B2N2O6S2/c1-13-17-19-27(15-3)25-45-35(29-21-23-31(53-29)43-49-39(5,6)40(7,8)50-43)33-34(37(45)47)36(46(38(33)48)26-28(16-4)20-18-14-2)30-22-24-32(54-30)44-51-41(9,10)42(11,12)52-44/h21-24,27-28H,13-20,25-26H2,1-12H3
    InChI Key
    DMWRDBVIELOJDX-UHFFFAOYSA-N
    Complexity
    1340
    Covalently-Bonded Unit Count
    1
    Exact Mass
    776.42354g/mol
    Formal Charge
    0
    Heavy Atom Count
    54
    Monoisotopic Mass
    776.42354g/mol
    Rotatable Bond Count
    16
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