Cas no 100780-04-9 ([4,4'-Biphenanthrene]-3,3'-diol)

[4,4'-Biphenanthrene]-3,3'-diol structure
100780-04-9 structure
Product Name:[4,4'-Biphenanthrene]-3,3'-diol
CAS No:100780-04-9
MF:C28H18O2
MW:386.441327571869
CID:124226
PubChem ID:10949053
Update Time:2025-04-18

[4,4'-Biphenanthrene]-3,3'-diol Chemical and Physical Properties

Names and Identifiers

    • [4,4'-Biphenanthrene]-3,3'-diol
    • 4-(3-hydroxyphenanthren-4-yl)phenanthren-3-ol
    • 4,4-Biphenanthrene-3,3-diol
    • (+/-)-3,3'-dihydroxy-4,4'-biphenanthryl
    • (+/-)-3,3'-dihydroxy-4,4'-biphenantryl
    • (+)-(S)-3,3'-dihydroxy-4,4'-biphenanthrene
    • (R)-(-)-3,3'-dihydroxy-4,4'-biphenanthryl
    • (R)-3,3'-dihydroxy-4,4'-biphenanthryl
    • (RS)-3,3'-Dihydroxy-4,4'-biphenanthryl
    • [4,4'-Biphenanthrene]-3,3'-diol,(?A'A A'A currency)-
    • 3,3'-dihydroxy-4,4'-biphenanthrene
    • 3,3'-Dihydroxy-4,4'-biphenanthryl
    • ACMC-20m3uc
    • AG-D-06448
    • CTK0H2358
    • DTXSID80449418
    • 4,4'-Biphenanthrene-3,3'-diol
    • SCHEMBL7796050
    • 100780-04-9
    • Inchi： 1S/C28H18O2/c29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,29-30H
    • InChI Key： NBWRXHUVCCXVBP-UHFFFAOYSA-N
    • SMILES： OC1C=CC2=CC=C3C=CC=CC3=C2C=1C1=C(C=CC2=CC=C3C=CC=CC3=C12)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

[4,4'-Biphenanthrene]-3,3'-diol Related Literature

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