ChemSpider 2D Image | 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 | C42H45N8

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

  • Molecular FormulaC42H45N8
  • Average mass661.860 Da
  • Monoisotopic mass661.376160 Da
  • ChemSpider ID4451459

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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 [German] [ACD/IUPAC Name]
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 [ACD/IUPAC Name]
3,8-Diamino-6-phényl-5-(6-{1-[2-(1,2,3,4-tétrahydro-9-acridinylamino)éthyl]-1H-1,2,3-triazol-4-yl}hexyl)phénanthridinium [French] [ACD/IUPAC Name]
Phenanthridinium, 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]- [ACD/Index Name]
3,8-Diamino-6-phenyl-5-(6-{1-[2-(1,2,3,4-tetrahydro-acridin-9-ylamino)-ethyl]-1H-[1,2,3]triazol-4-yl}-hexyl)-phenanthridinium
3,8-diamino-6-phenyl-5-[6-(1-{2-[(1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}-1H-1,2,3-triazol-4-yl)hexyl]phenanthridin-5-ium
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
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455333/
TZ4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
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