Cas no 34733-52-3 (1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)-)

1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)- structure
34733-52-3 structure
Product Name:1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)-
CAS No:34733-52-3
MF:C28H22O2
MW:390.473087787628
CID:1464464
PubChem ID:602367
Update Time:2025-04-20

1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)-
    • 1,4-bis(4-phenylphenyl)butane-1,4-dione
    • OESAOMYQHLMUEL-UHFFFAOYSA-N
    • 1,4-Di[1,1'-biphenyl]-4-yl-1,4-butanedione #
    • 1,4-Dibiphenyl-4-yl-butane-1,4-dione
    • 34733-52-3
    • DTXSID90345174
    • Inchi： 1S/C28H22O2/c29-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)19-20-28(30)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18H,19-20H2
    • InChI Key： OESAOMYQHLMUEL-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C2C=CC=CC=2)=CC=1)CCC(C1C=CC(C2C=CC=CC=2)=CC=1)=O

Computed Properties

  • Exact Mass: 390.16206
  • Monoisotopic Mass: 390.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 489
  • 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: 6.1
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

1,4-Butanedione, 1,4-bis([1,1'-biphenyl]-4-yl)- Related Literature

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