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  • N,N'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo

  • N,N'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo

    Catalog Number
    ACM1821433548
    CAS Number
    1821433-54-8
    Product Name
    N,N'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo
    Category
    Small Molecule Semiconductor Building Blocks; Polymers
    Synonyms
    1,1'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[3,3'-biindolinylidene]-2,2'-dione
    IUPAC Name
    (3Z)-1-(2-ethylhexyl)-3-[1-(2-ethylhexyl)-2-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-ylidene]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
    Molecular Weight
    738.62
    Molecular Formula
    C44H64B2N2O6
    Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=C4C5=C(C=C(C=C5)B6OC(C(O6)(C)C)(C)C)N(C4=O)CC(CC)CCCC)C(=O)N3CC(CC)CCCC
    InChI
    InChI=1S/C44H64B2N2O6/c1-13-17-19-29(15-3)27-47-35-25-31(45-51-41(5,6)42(7,8)52-45)21-23-33(35)37(39(47)49)38-34-24-22-32(46-53-43(9,10)44(11,12)54-46)26-36(34)48(40(38)50)28-30(16-4)20-18-14-2/h21-26,29-30H,13-20,27-28H2,1-12H3/b38-37-
    InChI Key
    GXHAQPUYIWIYPF-DTTHWBISSA-N
    Melting Point
    162 °C
    Density
    Moisture Sensitive
    Appearance
    Red to Dark red to Brown powder to crystal
    Storage
    Store under inert gas
    Complexity
    1260
    Covalently-Bonded Unit Count
    1
    Exact Mass
    738.495048g/mol
    Formal Charge
    0
    Heavy Atom Count
    54
    Monoisotopic Mass
    738.495048g/mol
    Rotatable Bond Count
    14
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