Cas no 53134-85-3 (9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)-)

9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)- structure
53134-85-3 structure
Product Name:9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)-
CAS No:53134-85-3
MF:C42H28O2
MW:564.670531272888
CID:386183
PubChem ID:323125
Update Time:2025-04-19

9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)-
    • 1,4-diphenyl-9,10-bis(2-phenylethynyl)anthracene-9,10-diol
    • AC1L87XS
    • NSC281957
    • NSC-281957
    • DTXSID70314303
    • 53134-85-3
    • Inchi： 1S/C42H28O2/c43-41(29-27-31-15-5-1-6-16-31)37-23-13-14-24-38(37)42(44,30-28-32-17-7-2-8-18-32)40-36(34-21-11-4-12-22-34)26-25-35(39(40)41)33-19-9-3-10-20-33/h1-26,43-44H
    • InChI Key： IHLUGNDTMJHCOO-UHFFFAOYSA-N
    • SMILES： OC1(C#CC2C=CC=CC=2)C2=CC=CC=C2C(C#CC2C=CC=CC=2)(C2C(C3C=CC=CC=3)=CC=C(C3C=CC=CC=3)C1=2)O

Computed Properties

  • Exact Mass: 564.20904
  • Monoisotopic Mass: 564.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 6
  • Complexity: 1000
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.6
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
  • LogP: 7.90920

9,10-Anthracenediol,9,10-dihydro-1,4-diphenyl-9,10-bis(2-phenylethynyl)- Related Literature

Related Categories

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