Cas no 106173-21-1 (1-methyl-4-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene)

1-methyl-4-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene structure
106173-21-1 structure
Product Name:1-methyl-4-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
CAS No:106173-21-1
MF:C36H28
MW:460.607529640198
CID:1180068
PubChem ID:14089038
Update Time:2025-04-20

1-methyl-4-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-4-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
    • 1,1',1'',1'''-[5-(4-Methylphenyl)cyclopenta-1,3-diene-1,2,3,4-tetrayl]tetrabenzene
    • 106173-21-1
    • 5-(p-tolyl)-1,2,3,4-tetraphenylcyclopentadiene
    • DTXSID30555679
    • Inchi: 1S/C36H28/c1-26-22-24-31(25-23-26)36-34(29-18-10-4-11-19-29)32(27-14-6-2-7-15-27)33(28-16-8-3-9-17-28)35(36)30-20-12-5-13-21-30/h2-25,36H,1H3
    • InChI Key: XJOPPXVMPAQYCO-UHFFFAOYSA-N
    • SMILES: C1(C2C=CC(C)=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 460.21924
  • Monoisotopic Mass: 460.219100893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 5
  • Complexity: 709
  • 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: 0?2

Experimental Properties

  • PSA: 0
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