Cas no 13141-36-1 (Benzene, 1,3-bis(phenylethynyl)-)

Benzene, 1,3-bis(phenylethynyl)- structure
13141-36-1 structure
Product Name:Benzene, 1,3-bis(phenylethynyl)-
CAS No:13141-36-1
MF:C22H14
MW:278.346565723419
CID:1227996
PubChem ID:13836897
Update Time:2025-04-20

Benzene, 1,3-bis(phenylethynyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3-bis(phenylethynyl)-
    • 1,3-bis(2-phenylethynyl)benzene
    • F90361
    • 13141-36-1
    • CHEMBL2324252
    • DTXSID80550836
    • 1,3-Bis(Phenylethynyl)Benzene
    • 1,1'-[1,3-Phenylenedi(ethyne-2,1-diyl)]dibenzene
    • 1,3-Bis-phenylethynyl-benzene
    • Inchi： 1S/C22H14/c1-3-8-19(9-4-1)14-16-21-12-7-13-22(18-21)17-15-20-10-5-2-6-11-20/h1-13,18H
    • InChI Key： OYEDTTNTNYKSFX-UHFFFAOYSA-N
    • SMILES： C1(C#CC2C=CC=CC=2)C=CC=C(C#CC2C=CC=CC=2)C=1

Computed Properties

  • Exact Mass: 278.10962
  • Monoisotopic Mass: 278.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 417
  • 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: 6.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Benzene, 1,3-bis(phenylethynyl)- Related Literature

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