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  • 6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydro-dithieno[2,3-d:2', 3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene

  • 6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydro-dithieno[2,3-d:2', 3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene

    Catalog Number
    ACM1420071642
    CAS Number
    1420071-64-2
    Product Name
    6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydro-dithieno[2,3-d:2', 3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene
    Structure
    Category
    Synthetic Tools and Reagents
    IUPAC Name
    12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaene
    Molecular Weight
    1019.58
    Molecular Formula
    C68H74S4
    Canonical SMILES
    CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=CS6)C(C7=C4SC8=C7SC=C8)(C9=CC=C(C=C9)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
    InChI
    InChI=1S/C68H74S4/c1-5-9-13-17-21-47-25-33-51(34-26-47)67(52-35-27-48(28-36-52)22-18-14-10-6-2)57-45-56-58(46-55(57)63-61(67)65-59(71-63)41-43-69-65)68(62-64(56)72-60-42-44-70-66(60)62,53-37-29-49(30-38-53)23-19-15-11-7-3)54-39-31-50(32-40-54)24-20-16-12-8-4/h25-46H,5-24H2,1-4H3
    InChI Key
    BCNFVSGTHYWQKH-UHFFFAOYSA-N
    Melting Point
    2-8°C
    Storage
    room temp
    Assay
    >98%
    Complexity
    1430
    Covalently-Bonded Unit Count
    1
    Exact Mass
    1018.467337g/mol
    Form
    solid
    Formal Charge
    0
    Heavy Atom Count
    72
    Monoisotopic Mass
    1018.467337g/mol
    Rotatable Bond Count
    24
    XLogP3
    24.9
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