1-(3-Isoquinolinyl)-9H-β-Carboline

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Properties Simple | Detailed

Formula C20H13N3
IUPAC Name 1-(3-isoquinolyl)pyrido[3,4-b]indol-9-ium
Molecular Mass 295.337 g·mol−1
Heat of Formation 478.6 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 338.38 Å 3
Surface Area 311.79 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(2-quinolyl)-9h-pyrido(3,4-b)indole
  • 1-(3-isoquinolyl)-9h-$b-carboline
  • 1-(3-isoquinolyl)-9h-pyrido[3,4-b]indole
  • 1-isoquinolin-3-yl-9h-pyrido[3,4-b]indole
  • 9h-pyrido(3,4-b)indole, 1-(2-quinolinyl)-
  • nitramarine
CAS Number(s)
  • 95360-17-1
InChIKey XCVKCPXFKRDYKB-UHFFFAOYSA-N
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Elements H C N