3,8-Diamino-6-Phenyl-5-(6-{1-[2-(1,2,3,4-Tetrahydro-9-Acridinylamino)Ethyl]-1H-1,2,3-Triazol-4-Yl}Hexyl)Phenanthridinium

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Properties Simple | Detailed

Formula C42H45N8+
IUPAC Name 6-phenyl-5-[6-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]hexyl]phenanthridin-5-ium-3,8-diamine
Molecular Mass 661.860 g·mol−1
Heat of Formation 6708.7 ± 16.7 kJ·mol−1
Dipole Moment 22.45 ± 1.08 D
Volume 613.18 Å 3
Surface Area 530.73 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[6-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)hexyl]triazol-1-yl]ethyl-(1,2,3,4-tetrahydroacridin-9-yl)amine
  • 3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium
  • 6-phenyl-5-[6-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]hexyl]phenanthridin-5-ium-3,8-diamine
  • 6-phenyl-5-[6-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-4-triazolyl]hexyl]phenanthridin-5-ium-3,8-diamine
  • 6-phenyl-5-[6-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]hexyl]phenanthridin-5-ium-3,8-diamine
  • tz4
InChIKey NAARZDJZGYBXKL-UHFFFAOYSA-O
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