Cas no 71879-27-1 (2,2'-Bipyridine, 4,4'-dioctadecyl-)

2,2'-Bipyridine, 4,4'-dioctadecyl- structure
71879-27-1 structure
Product Name:2,2'-Bipyridine, 4,4'-dioctadecyl-
CAS No:71879-27-1
MF:C46H80N2
MW:661.140813827515
CID:1751818
PubChem ID:14767437
Update Time:2025-04-21

2,2'-Bipyridine, 4,4'-dioctadecyl- Chemical and Physical Properties

Names and Identifiers

    • 2,2'-Bipyridine, 4,4'-dioctadecyl-
    • 4,4'-dioctadecyl-2,2'-bipyridine
    • 4,4'-dioctadecyl-2,2'-bipyridyl
    • 71879-27-1
    • SCHEMBL7964430
    • J-400513
    • Inchi: 1S/C46H80N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-37-39-47-45(41-43)46-42-44(38-40-48-46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-42H,3-36H2,1-2H3
    • InChI Key: QZDIRWTYEDSPHD-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1C1C=C(C=CN=1)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 660.6326
  • Monoisotopic Mass: 660.63215056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 35
  • Complexity: 580
  • 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: 20.4
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78
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