Cas no 111122-84-0 (Methanone, 1H-pyrrole-2,5-diylbis[phenyl-)

Methanone, 1H-pyrrole-2,5-diylbis[phenyl- structure
111122-84-0 structure
Product Name:Methanone, 1H-pyrrole-2,5-diylbis[phenyl-
CAS No:111122-84-0
MF:C18H13NO2
MW:275.301324605942
CID:1202824
PubChem ID:14043375
Update Time:2025-04-20

Methanone, 1H-pyrrole-2,5-diylbis[phenyl- Chemical and Physical Properties

Names and Identifiers

    • (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone
    • Methanone, 1H-pyrrole-2,5-diylbis[phenyl-
    • DTXSID60554897
    • (1H-Pyrrole-2,5-diyl)bis(phenylmethanone)
    • 111122-84-0
    • Inchi: 1S/C18H13NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,19H
    • InChI Key: KFSOAIOQXJYNHC-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)C1=CC=C(C(C2C=CC=CC=2)=O)N1

Computed Properties

  • Exact Mass: 275.094628657g/mol
  • Monoisotopic Mass: 275.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 345
  • 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: 4.1
  • Topological Polar Surface Area: 49.9?2

Experimental Properties

  • PSA: 49.93000
  • LogP: 3.47670
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