Cas no 71720-45-1 (Pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)-)

Pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)- structure
71720-45-1 structure
Product Name:Pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)-
CAS No:71720-45-1
MF:C24H17N3O4
MW:411.409485578537
CID:573697
PubChem ID:3018241
Update Time:2025-04-19

Pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyridine,2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)-
    • 4-(3-nitrophenyl)-6-(4-nitrophenyl)-2-(p-tolyl)pyridine
    • 2-(4-methylphenyl)-4-(3-nitrophenyl)-6-(4-nitrophenyl)pyridine
    • NS00063372
    • 71720-45-1
    • DTXSID50992325
    • EINECS 275-894-0
    • Inchi: 1S/C24H17N3O4/c1-16-5-7-17(8-6-16)23-14-20(19-3-2-4-22(13-19)27(30)31)15-24(25-23)18-9-11-21(12-10-18)26(28)29/h2-15H,1H3
    • InChI Key: JSRNHJSABGMMTB-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC(=C1)C1C=C(C2C=CC(=CC=2)[N+](=O)[O-])N=C(C2C=CC(C)=CC=2)C=1)=O

Computed Properties

  • Exact Mass: 411.12201
  • Monoisotopic Mass: 411.12190603g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 3
  • Complexity: 617
  • 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: 5.8
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.291
  • Boiling Point: 580.5°C at 760 mmHg
  • Flash Point: 304.9°C
  • Refractive Index: 1.649
  • PSA: 99.17
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