Cas no 356067-72-6 (1,4-Benzenediamine, N-2-naphthalenyl-N',N'-bis[4-(1-naphthalenylphenylamino)phenyl]-N-phenyl-)

1,4-Benzenediamine, N-2-naphthalenyl-N',N'-bis[4-(1-naphthalenylphenylamino)phenyl]-N-phenyl- structure
356067-72-6 structure
Product Name:1,4-Benzenediamine, N-2-naphthalenyl-N',N'-bis[4-(1-naphthalenylphenylamino)phenyl]-N-phenyl-
CAS No:356067-72-6
MF:C66H48N4
MW:897.114135742188
CID:920503
PubChem ID:90472205
Update Time:2025-04-19

1,4-Benzenediamine, N-2-naphthalenyl-N',N'-bis[4-(1-naphthalenylphenylamino)phenyl]-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-2-naphthalenyl-N',N'-bis[4-(1-naphthalenylphenylamino)phenyl]-N-phenyl-
    • 356067-72-6
    • N1-(naphthalen-1-yl)-N4-{4-[(naphthalen-1-yl)(phenyl)amino]phenyl}-N4-{4-[(naphthalen-2-yl)(phenyl)amino]phenyl}-N1-phenylbenzene-1,4-diamine
    • N1-(Naphthalen-1-yl)-N4-(4-(naphthalen-1-yl(phenyl)amino)phenyl)-N4-(4-(naphthalen-2-yl(phenyl)amino)phenyl)-N1-phenylbenzene-1,4-diamine
    • SCHEMBL24702723
    • 1,4-Benzenediamine,N-2-naphthalenyl-N',N'-bis[4-(1-Naphthalenylphenylamino)phenyl]-n-phenyl-
    • Inchi: 1S/C66H48N4/c1-4-24-53(25-5-1)68(62-35-34-49-18-10-11-21-52(49)48-62)59-38-36-56(37-39-59)67(57-40-44-60(45-41-57)69(54-26-6-2-7-27-54)65-32-16-22-50-19-12-14-30-63(50)65)58-42-46-61(47-43-58)70(55-28-8-3-9-29-55)66-33-17-23-51-20-13-15-31-64(51)66/h1-48H
    • InChI Key: KLSMVYLGWICFFT-UHFFFAOYSA-N
    • SMILES: N(C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC2C=CC=CC=2C=1)(C1C=CC(=CC=1)N(C1C=CC=CC=1)C1=CC=CC2C=CC=CC1=2)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1=CC=CC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 896.38800
  • Monoisotopic Mass: 896.38789755g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 70
  • Rotatable Bond Count: 12
  • Complexity: 1460
  • 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: 18.6
  • Topological Polar Surface Area: 13?2

Experimental Properties

  • PSA: 12.96000
  • LogP: 19.02540
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