Cas no 58337-98-7 (1,2,5-triphenylpentane-1,5-dione)

1,2,5-triphenylpentane-1,5-dione structure
58337-98-7 structure
Product Name:1,2,5-triphenylpentane-1,5-dione
CAS No:58337-98-7
MF:C23H20O2
MW:328.403706550598
CID:948380
PubChem ID:286676
Update Time:2025-04-19

1,2,5-triphenylpentane-1,5-dione Chemical and Physical Properties

Names and Identifiers

    • 1,2,5-triphenylpentane-1,5-dione
    • 1,2,5-Triphenyl-(3)-pyrrolin-3,4-dicarbonsaeure-diethylester
    • 1,2,5-Triphenyl-3,4-dicarbethoxy-3-pyrrolin
    • 1,2,5-Triphenyl-pentan-1,5-dion
    • 1,2,5-triphenyl-pentane-1,5-dione
    • AC1L6FZI
    • AC1Q63HI
    • AG-K-45757
    • AR-1I4311
    • CTK4H0540
    • diethyl 1,2,5-triphenyl-2,5-dihydro-1h-pyrrole-3,4-dicarboxylate
    • NSC103875
    • AKOS024322959
    • SMR001798278
    • NSC-145219
    • CHEMBL2135242
    • 58337-98-7
    • SCHEMBL9066704
    • NSC145219
    • MLS002920691
    • Inchi： 1S/C23H20O2/c24-22(19-12-6-2-7-13-19)17-16-21(18-10-4-1-5-11-18)23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
    • InChI Key： HKGOVXWRWWAJDE-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1)C(C1C=CC=CC=1)CCC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 328.1464
  • Monoisotopic Mass: 328.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 423
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 5.31620

1,2,5-triphenylpentane-1,5-dione Related Literature

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