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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight453.53712 [g/mol]
    Molecular FormulaC30H23N5
    XLogP6.8
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count4
    Tautomer Count5
    Exact Mass453.195346
    MonoIsotopic Mass453.195346
    Topological Polar Surface Area88.8
    Heavy Atom Count35
    Formal Charge0
    Complexity792
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-phenanthren-9-yl-2-(N'-phenanthren-9-ylcarbamimidoyl)guanidine
    Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)NC(=NC(=NC4=CC5=CC=CC=C5C6=CC=CC=C64)N)N
    InChI: InChI=1/C30H23N5/c31-29(33-27-17-19-9-1-3-11-21(19)23-13-5-7-15-25(23)
    27)35-30(32)34-28-18-20-10-2-4-12-22(20)24-14-6-8-16-26(24)28/h1-18H,
    (H5,31,32,33,34,35)/f/h33H,31-32H2/b34-30+,35-29+



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