2-(4-Biphenylyl)[1,2,4]Triazolo[5,1-A]Isoquinoline

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Properties Simple | Detailed

Formula C22H16N3+
IUPAC Name 2-(4-phenylphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline
Molecular Mass 322.383 g·mol−1
Heat of Formation 585.8 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 377.81 Å 3
Surface Area 346.93 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • (1,2,4)triazolo(5,1-a)isoquinoline, 2-(1,1'-biphenyl)-4-yl-(9ci)
  • 2-(1,1'-biphenyl)-4-yl-(1,2,4)triazolo(5,1-a)isoquinoline
  • 2-(1,1'-biphenyl-4-yl)-1,2,4-triazole(5,1-a)isoquinoline
  • 2-(1,1'-biphenyl-4-yl)-s-triazole(5,1-a)isoquinoline
  • 2-(4-biphenylyl)-s-triazolo(5,1-a)isoquinoline
  • s-triazolo(5,1-a)isoquinoline, 2-(4-biphenylyl)-
CAS Number(s)
  • 75318-62-6
InChIKey AJOKAHRNFHBQIS-UHFFFAOYSA-N
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