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  • 5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II)

  • 5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II)

    Catalog Number
    ACM14172919-4
    CAS Number
    14172-91-9
    Product Name
    5,10,15,20-Tetraphenyl-21H,23H-porphine copper(II)
    Structure
    Category
    Other Materials
    Synonyms
    Copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
    IUPAC Name
    copper;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
    Molecular Weight
    678.3
    Molecular Formula
    C44H30CuN4
    Canonical SMILES
    C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3.[Cu+2]
    InChI
    InChI=1S/C44H30N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/q;+2
    InChI Key
    BQWXRCGBXCQIAB-UHFFFAOYSA-N
    Purity
    95%
    Complexity
    851
    Covalently-Bonded Unit Count
    2
    EC Number
    238-019-3
    Exact Mass
    677.176644
    Formal Charge
    2
    Heavy Atom Count
    49
    Hydrogen Bond Acceptor Count
    2
    Hydrogen Bond Donor Count
    2
    MeSH Entry Terms
    copper tetraphenylporphyrin
    Monoisotopic Mass
    677.176644
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    57.4 Ų
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