Cas no 108248-14-2 (2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline)

2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline structure
108248-14-2 structure
Product Name:2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline
CAS No:108248-14-2
MF:C30H18N6
MW:462.504125118256
CID:1185364
PubChem ID:71334670
Update Time:2025-04-20

2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline Chemical and Physical Properties

Names and Identifiers

    • 2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline
    • SCHEMBL24184547
    • 2,4,6-Tri(quinolin-2-yl)-1,3,5-triazine
    • 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)triquinoline
    • DTXSID90762761
    • Quinoline, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris-
    • 108248-14-2
    • Inchi: 1S/C30H18N6/c1-4-10-22-19(7-1)13-16-25(31-22)28-34-29(26-17-14-20-8-2-5-11-23(20)32-26)36-30(35-28)27-18-15-21-9-3-6-12-24(21)33-27/h1-18H
    • InChI Key: GCUCYKMDPCZMSH-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CC3C=CC=CC=3N=2)=NC(C2C=CC3C=CC=CC=3N=2)=NC=1C1C=CC2C=CC=CC=2N=1

Computed Properties

  • Exact Mass: 462.15954
  • Monoisotopic Mass: 462.15929460g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 3
  • Complexity: 625
  • 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: 6
  • Topological Polar Surface Area: 77.3?2

Experimental Properties

  • PSA: 77.34
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