Free Chemical Databases



  • [Synonyms]
    BRN 0580094
    LS-81115
    2-Phenyl-2-(4-phenyl-1-piperazinyl)-1,3-indandiol
    1,3-Indandiol, 2-phenyl-2-(4-phenyl-1-piperazinyl)-
    5-23-02-00174 (Beilstein Handbook Reference)
    17334-89-3

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight386.48614 [g/mol]
    Molecular FormulaC25H26N2O2
    XLogP3.6
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count3
    Exact Mass386.199428
    MonoIsotopic Mass386.199428
    Topological Polar Surface Area46.9
    Heavy Atom Count29
    Formal Charge0
    Complexity517
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-dihydroindene-1,3-diol
    Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
    InChI: InChI=1/C25H26N2O2/c28-23-21-13-7-8-14-22(21)24(29)25(23,
    19-9-3-1-4-10-19)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h1-14,23-24,
    28-29H,15-18H2



Other Chemicals
.265625