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  • 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

  • 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

    Catalog Number
    ACM146406759-2
    Product Name
    1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene
    Structure
    CAS
    146406-75-9
    Category
    Customizable MOF Linkers
    Synonyms
    4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine); 4-[4-(2,6-Dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
    IUPAC Name
    4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
    Molecular Weight
    540.62
    Molecular Formula
    C36H24N6
    Canonical SMILES
    C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7
    InChI
    NXMHYAQTBVTLRK-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
    Boiling Point
    340 °C (dec.)-lit.
    Melting Point
    340 °C (dec.)-lit.
    Purity
    98%
    Appearance
    Grey white solid
    Complexity
    697
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    540.20624479
    Formal Charge
    0
    Heavy Atom Count
    42
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    0
    Isotope Atom Count
    0
    Monoisotopic Mass
    540.20624479
    Rotatable Bond Count
    6
    Topological Polar Surface Area
    77.3 Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    5.5
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