Cas no 167218-38-4 ([1,1'-Biphenyl]-4-amine, 4'-iodo-N,N-diphenyl-)

[1,1'-Biphenyl]-4-amine, 4'-iodo-N,N-diphenyl- structure
167218-38-4 structure
Product Name:[1,1'-Biphenyl]-4-amine, 4'-iodo-N,N-diphenyl-
CAS No:167218-38-4
MF:C24H18IN
MW:447.310898303986
CID:1347251
PubChem ID:21848898
Update Time:2025-04-20

[1,1'-Biphenyl]-4-amine, 4'-iodo-N,N-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-amine, 4'-iodo-N,N-diphenyl-
    • 4-(4-iodophenyl)-N,N-diphenylaniline
    • DTXSID90618759
    • SCHEMBL1760257
    • CQBYSEGKSOAUPA-UHFFFAOYSA-N
    • 4'-Iodo-N,N-diphenyl-[1,1'-biphenyl]-4-amine
    • N-(4'-iodo-4-biphenylyl)-N,N-diphenylamine
    • 4'-iodo-N, N-diphenyl-4-aminobiphenyl
    • 4'-Iodo-N,N-diphenyl[1,1'-biphenyl]-4-amine
    • 167218-38-4
    • 4'-iodo-N,N-diphenyl-4-aminobiphenyl
    • Inchi: 1S/C24H18IN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
    • InChI Key: CQBYSEGKSOAUPA-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 447.04804
  • Monoisotopic Mass: 447.04840g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 378
  • 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: 7.4
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24
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