Cas no 4440-93-1 (2,3-Dibenzoyl-1,4-diphenyl-1,4-butanedione)

2,3-Dibenzoyl-1,4-diphenyl-1,4-butanedione structure
4440-93-1 structure
Product Name:2,3-Dibenzoyl-1,4-diphenyl-1,4-butanedione
CAS No:4440-93-1
MF:C30H22O4
MW:446.493288516998
CID:2717180
PubChem ID:4277936
Update Time:2025-04-21

2,3-Dibenzoyl-1,4-diphenyl-1,4-butanedione Chemical and Physical Properties

Names and Identifiers

    • 1,4-diphenyl-2,3-dibenzoylbutane-1,4-dione
    • DTXSID201265083
    • AKOS024420549
    • 1,1,2,2-tetrabenzoylethane
    • 2,3-dibenzoyl-1,4-diphenyl-1,4-butanedione
    • SCHEMBL1704713
    • 4440-93-1
    • 2,3-Dibenzoyl-1,4-diphenyl-1,4-butanedione
    • Inchi: 1S/C30H22O4/c31-27(21-13-5-1-6-14-21)25(28(32)22-15-7-2-8-16-22)26(29(33)23-17-9-3-10-18-23)30(34)24-19-11-4-12-20-24/h1-20,25-26H
    • InChI Key: QPKVOOSJCFCEGP-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)C(C(C1C=CC=CC=1)=O)C(C(C1C=CC=CC=1)=O)C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 446.15180918Da
  • Monoisotopic Mass: 446.15180918Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9
  • Complexity: 594
  • 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: 68.3?2
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