Cas no 196865-17-5 ([1,1'-Biphenanthrene]-2,2'-diol)

[1,1'-Biphenanthrene]-2,2'-diol structure
196865-17-5 structure
Product Name:[1,1'-Biphenanthrene]-2,2'-diol
CAS No:196865-17-5
MF:C28H18O2
MW:386.441327571869
CID:1388586
PubChem ID:11728764
Update Time:2025-04-20

[1,1'-Biphenanthrene]-2,2'-diol Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenanthrene]-2,2'-diol
    • 1-(2-hydroxyphenanthren-1-yl)phenanthren-2-ol
    • DTXSID70471228
    • 196865-17-5
    • SCHEMBL598943
    • Inchi: 1S/C28H18O2/c29-25-15-13-21-19-7-3-1-5-17(19)9-11-23(21)27(25)28-24-12-10-18-6-2-4-8-20(18)22(24)14-16-26(28)30/h1-16,29-30H
    • InChI Key: LYXQKPRYDFQZPL-UHFFFAOYSA-N
    • SMILES: OC1C=CC2C3C=CC=CC=3C=CC=2C=1C1=C(C=CC2C3C=CC=CC=3C=CC1=2)O

Computed Properties

  • Exact Mass: 386.13074
  • Monoisotopic Mass: 386.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 1
  • Complexity: 551
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.8
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
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