Cas no 120259-94-1 (5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro-)

5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro- structure
120259-94-1 structure
Product Name:5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro-
CAS No:120259-94-1
MF:C40H32N2
MW:540.695489883423
CID:139462
PubChem ID:53445416
Update Time:2025-04-19

5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro-
    • 1-[4-[4-(2,3-dihydro-1H-benzo[d][1]benzazepin-1-yl)phenyl]phenyl]-2,3-dihydro-1H-benzo[d][1]benzazepine
    • 4,4'-BIS(DIHYDRO-DIBENZAZEPIN-1-YL)BIPHENYL
    • IDB
    • 5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro
    • 1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis(2,3-dihydro-1H-dibenzo[b,d]azepine)
    • 120259-94-1
    • DTXSID50703115
    • 4,4/'-BIS(DIHYDRO-DIBENZAZEPIN-1-YL)BIPHENYL
    • SCHEMBL359375
    • Inchi: 1S/C40H32N2/c1-3-9-33-29(7-1)23-25-41-37-13-5-11-35(39(33)37)31-19-15-27(16-20-31)28-17-21-32(22-18-28)36-12-6-14-38-40(36)34-10-4-2-8-30(34)24-26-42-38/h1-4,7-10,13-26,35-36H,5-6,11-12H2
    • InChI Key: IHTMMGPYVSWTJF-UHFFFAOYSA-N
    • SMILES: N1=CC=C2C=CC=CC2=C2C1=CCCC2C1C=CC(=CC=1)C1C=CC(=CC=1)C1C2=C3C=CC=CC3=CC=NC2=CCC1

Computed Properties

  • Exact Mass: 540.25700
  • Monoisotopic Mass: 540.256549029g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 3
  • Complexity: 1380
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.7
  • Topological Polar Surface Area: 24.7?2

Experimental Properties

  • Melting Point: 299°C
  • PSA: 24.06000
  • LogP: 10.64800

5H-Dibenz[b,f]azepine,5,5'-[1,1'-biphenyl]-4,4'-diylbis[10,11-dihydro- Related Literature

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