Cas no 53134-75-1 (1,4-dimethyl-9,10-bis(phenylethynyl)anthracene)

1,4-dimethyl-9,10-bis(phenylethynyl)anthracene structure
53134-75-1 structure
Product Name:1,4-dimethyl-9,10-bis(phenylethynyl)anthracene
CAS No:53134-75-1
MF:C32H22
MW:406.517088413239
CID:937999
PubChem ID:333922
Update Time:2025-04-19

1,4-dimethyl-9,10-bis(phenylethynyl)anthracene Chemical and Physical Properties

Names and Identifiers

    • 1,4-dimethyl-9,10-bis(phenylethynyl)anthracene
    • 53134-75-1
    • NSC-338065
    • NSC338065
    • DTXSID60318916
    • Inchi: 1S/C32H22/c1-23-17-18-24(2)32-30(22-20-26-13-7-4-8-14-26)28-16-10-9-15-27(28)29(31(23)32)21-19-25-11-5-3-6-12-25/h3-18H,1-2H3
    • InChI Key: ZTXOKOINVVTFSJ-UHFFFAOYSA-N
    • SMILES: C12=C(C)C=CC(C)=C1C(C#CC1C=CC=CC=1)=C1C=CC=CC1=C2C#CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 406.17226
  • Monoisotopic Mass: 406.172150702g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 685
  • 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: 9.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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