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  • 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

  • 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine

    Catalog Number
    ACM16834132-1
    CAS Number
    16834-13-2
    Product Name
    5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
    Structure
    Category
    Other Materials
    Synonyms
    meso-Tetra(4-pyridyl)porphine; 5,10,15,20-Tetra(4-pyridyl)porphyrin
    IUPAC Name
    5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
    Molecular Weight
    618.69
    Molecular Formula
    C40H26N8
    Canonical SMILES
    C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
    InChI
    DNZSHSJERXNJGX-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H
    Purity
    95%
    Appearance
    Solid
    Complexity
    863
    Covalently-Bonded Unit Count
    1
    EC Number
    240-858-5
    Exact Mass
    618.22804286
    Formal Charge
    0
    Heavy Atom Count
    48
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    2
    MeSH Entry Terms
    5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine;5,10,15,20-tetra(4-pyridyl)porphyrin;H(2)TPyP
    Monoisotopic Mass
    618.22804286
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    109 Ų
    XLogP3
    6.1
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