Cas no 111341-76-5 (1,4-Benzenediamine, N,N'-bis(4-aminophenyl)-N,N'-diphenyl-)

1,4-Benzenediamine, N,N'-bis(4-aminophenyl)-N,N'-diphenyl- structure
111341-76-5 structure
Product Name:1,4-Benzenediamine, N,N'-bis(4-aminophenyl)-N,N'-diphenyl-
CAS No:111341-76-5
MF:C30H26N4
MW:442.554246425629
CID:1197449
PubChem ID:11419364
Update Time:2025-04-20

1,4-Benzenediamine, N,N'-bis(4-aminophenyl)-N,N'-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N,N'-bis(4-aminophenyl)-N,N'-diphenyl-
    • 4-N-[4-(N-(4-aminophenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
    • SCHEMBL6291724
    • 111341-76-5
    • DTXSID60465297
    • Inchi: 1S/C30H26N4/c31-23-11-15-27(16-12-23)33(25-7-3-1-4-8-25)29-19-21-30(22-20-29)34(26-9-5-2-6-10-26)28-17-13-24(32)14-18-28/h1-22H,31-32H2
    • InChI Key: TZHNHNHALWWXSP-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=CC=1)(C1C=CC(=CC=1)N)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 442.21598
  • Monoisotopic Mass: 442.21574685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 523
  • 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
  • Topological Polar Surface Area: 58.5?2

Experimental Properties

  • PSA: 58.52
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