Cas no 3837-42-1 (Benzo[f]quinoline, 1,3-diphenyl-)

Benzo[f]quinoline, 1,3-diphenyl- structure
3837-42-1 structure
Product Name:Benzo[f]quinoline, 1,3-diphenyl-
CAS No:3837-42-1
MF:C25H17N
MW:331.409186124802
CID:1489320
PubChem ID:3094016
Update Time:2025-04-21

Benzo[f]quinoline, 1,3-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[f]quinoline, 1,3-diphenyl-
    • 1,3-diphenylbenzo[f]quinoline
    • 1,3-diphenyl-benzo(F)quinoline
    • 3837-42-1
    • BIDD:GT0526
    • SCHEMBL13169339
    • DTXSID20389127
    • AKOS024336126
    • Inchi: 1S/C25H17N/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17H
    • InChI Key: VVGPJJDXVQKKFH-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CC=CC=2)=CC(C2C=CC=CC=2)=C2C=1C=CC1C=CC=CC2=1

Computed Properties

  • Exact Mass: 331.13621
  • Monoisotopic Mass: 331.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 447
  • 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: 6.7
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89
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