Cas no 157557-32-9 (2,2':6',2''-Terpyridine, 4'-[4-(1,1-dimethylethyl)phenyl]-)

2,2':6',2''-Terpyridine, 4'-[4-(1,1-dimethylethyl)phenyl]- structure
157557-32-9 structure
Product Name:2,2':6',2''-Terpyridine, 4'-[4-(1,1-dimethylethyl)phenyl]-
CAS No:157557-32-9
MF:C25H23N3
MW:365.470225572586
CID:1334905
PubChem ID:14931563
Update Time:2025-04-20

2,2':6',2''-Terpyridine, 4'-[4-(1,1-dimethylethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2,2':6',2''-Terpyridine, 4'-[4-(1,1-dimethylethyl)phenyl]-
    • 4-(4-tert-butylphenyl)-2,6-dipyridin-2-ylpyridine
    • 2~4~-(4-tert-Butylphenyl)-1~2~,2~2~:2~6~,3~2~-terpyridine
    • SCHEMBL2537192
    • DTXSID30565637
    • 157557-32-9
    • Inchi: 1S/C25H23N3/c1-25(2,3)20-12-10-18(11-13-20)19-16-23(21-8-4-6-14-26-21)28-24(17-19)22-9-5-7-15-27-22/h4-17H,1-3H3
    • InChI Key: ISSJWXXXHPZTPN-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CC=CN=2)=CC(=CC=1C1C=CC=CN=1)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 365.18939
  • Monoisotopic Mass: 365.189197746g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 451
  • 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: 5.4
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.67
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