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  • 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

  • 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

    Catalog Number
    ACM14705636-1
    CAS Number
    14705-63-6
    Product Name
    5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide
    Structure
    Category
    Other Materials
    Synonyms
    Vanadyl (IV) mesotetraphenylporphine
    IUPAC Name
    oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;
    Molecular Weight
    679.7
    Molecular Formula
    C44H28N4OV
    Canonical SMILES
    C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]
    InChI
    InChI=1S/C44H28N4.O.V/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;/h1-28H;/q-2;+2
    InChI Key
    WDCQRRQLLCXEFB-UHFFFAOYSA-N
    Appearance
    Crystalline
    Complexity
    1360
    Covalently-Bonded Unit Count
    2
    Defined Atom Stereocenter Count
    0
    Exact Mass
    679.170269
    Heavy Atom Count
    50
    Hydrogen Bond Acceptor Count
    5
    Hydrogen Bond Donor Count
    0
    Monoisotopic Mass
    679.170269
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    43.8 Ų
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