Cas no 921205-05-2 (Pyridine, 4,4'-[5'-[3-(4-pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bis-)

Pyridine, 4,4'-[5'-[3-(4-pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bis- structure
921205-05-2 structure
Product Name:Pyridine, 4,4'-[5'-[3-(4-pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bis-
CAS No:921205-05-2
MF:C39H27N3
MW:537.651788949966
CID:745343
PubChem ID:68268737
Update Time:2025-04-19

Pyridine, 4,4'-[5'-[3-(4-pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bis- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4,4'-[5'-[3-(4-pyridinyl)phenyl][1,1':3',1''-terphenyl]-3,3''-diyl]bis-
    • 4-[3-[3,5-bis(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
    • DTXSID30738187
    • 1,3,5-Tris[3-(4-pyridinyl)phenyl]benzene
    • 921205-05-2
    • SCHEMBL12452342
    • Inchi: 1S/C39H27N3/c1-4-31(28-10-16-40-17-11-28)22-34(7-1)37-25-38(35-8-2-5-32(23-35)29-12-18-41-19-13-29)27-39(26-37)36-9-3-6-33(24-36)30-14-20-42-21-15-30/h1-27H
    • InChI Key: LMSXAZPURMJJJA-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1)C1=CC=CC(=C1)C1C=C(C2C=CC=C(C3C=CN=CC=3)C=2)C=C(C2C=CC=C(C3C=CN=CC=3)C=2)C=1

Computed Properties

  • Exact Mass: 537.220497874g/mol
  • Monoisotopic Mass: 537.220497874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 679
  • 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: 8.5
  • Topological Polar Surface Area: 38.7?2
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