Cas no 80034-24-8 (Anthracene, 1,8-dimethoxy-9,10-bis(phenylethynyl)-)

Anthracene, 1,8-dimethoxy-9,10-bis(phenylethynyl)- structure
80034-24-8 structure
Product Name:Anthracene, 1,8-dimethoxy-9,10-bis(phenylethynyl)-
CAS No:80034-24-8
MF:C32H22O2
MW:438.515888690948
CID:706457
PubChem ID:19009132
Update Time:2025-04-19

Anthracene, 1,8-dimethoxy-9,10-bis(phenylethynyl)- Chemical and Physical Properties

Names and Identifiers

    • Anthracene, 1,8-dimethoxy-9,10-bis(phenylethynyl)-
    • 1,8-dimethoxy-9,10-bis(2-phenylethynyl)anthracene
    • 80034-24-8
    • 1,8-dimethoxy-9,10-bis(phenyl-ethynyl)anthracene
    • DTXSID50597339
    • 1,8-dimethoxy-9,10-bis(phenylethynyl)anthracene
    • SCHEMBL1397276
    • Inchi: 1S/C32H22O2/c1-33-29-17-9-15-26-25(21-19-23-11-5-3-6-12-23)27-16-10-18-30(34-2)32(27)28(31(26)29)22-20-24-13-7-4-8-14-24/h3-18H,1-2H3
    • InChI Key: DQOAHQWNNMXPRE-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC=C2C(C#CC3C=CC=CC=3)=C3C=CC=C(C3=C(C#CC3C=CC=CC=3)C2=1)OC

Computed Properties

  • Exact Mass: 438.161979940g/mol
  • Monoisotopic Mass: 438.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 762
  • 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: 8.4
  • Topological Polar Surface Area: 18.5?2
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