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  • 2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine

  • 2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine

    Catalog Number
    ACM2683821-1
    Product Name
    2,3,7,8,12,13,17,18-Octaethyl-21h,23h-porphine
    Structure
    CAS
    2683-82-1
    Category
    Other Materials
    Synonyms
    Octaethylporphine
    IUPAC Name
    2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
    Molecular Weight
    534.78
    Molecular Formula
    C36H46N4
    Canonical SMILES
    CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
    InChI
    XFIIGRBIXXECHR-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
    Melting Point
    322 °C
    Purity
    97%
    Appearance
    Atropurpureus solid
    Complexity
    725
    Covalently-Bonded Unit Count
    1
    EC Number
    220-243-8
    Exact Mass
    534.37224748
    Formal Charge
    0
    Heavy Atom Count
    40
    Hydrogen Bond Acceptor Count
    2
    Hydrogen Bond Donor Count
    2
    MeSH Entry Terms
    octaethylporphyrin
    Monoisotopic Mass
    534.37224748
    Rotatable Bond Count
    8
    Topological Polar Surface Area
    57.4 Ų
    XLogP3
    8.5
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