Cas no 136247-30-8 (2,2':4',2''-Terpyridine, 6'-(4-methylphenyl)-)

2,2':4',2''-Terpyridine, 6'-(4-methylphenyl)- structure
136247-30-8 structure
Product Name:2,2':4',2''-Terpyridine, 6'-(4-methylphenyl)-
CAS No:136247-30-8
MF:C22H17N3
MW:323.390484571457
CID:1239929
PubChem ID:9927226
Update Time:2025-04-20

2,2':4',2''-Terpyridine, 6'-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,2':4',2''-Terpyridine, 6'-(4-methylphenyl)-
    • 2-(4-methylphenyl)-4,6-dipyridin-2-ylpyridine
    • 136247-30-8
    • DTXSID00432968
    • Inchi: 1S/C22H17N3/c1-16-8-10-17(11-9-16)21-14-18(19-6-2-4-12-23-19)15-22(25-21)20-7-3-5-13-24-20/h2-15H,1H3
    • InChI Key: PGLQYDHPEDIJQH-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CC=CN=2)=CC(C2C=CC=CN=2)=CC=1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 323.14241
  • Monoisotopic Mass: 323.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 404
  • 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: 4.1
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.67
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