ChemSpider 2D Image | 4-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-1,3-benzenedisulfonate | C31H29N2O7S2

4-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-1,3-benzenedisulfonate

  • Molecular FormulaC31H29N2O7S2
  • Average mass605.702 Da
  • Monoisotopic mass605.142151 Da
  • ChemSpider ID5500959

  • Charge - Charge

More details:

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

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-4-ium, 9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt, ion(1-) [ACD/Index Name]
262-159-4 [EINECS]
4-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]chinolizino[1',9':6,7,8]chromeno[2,3-f]chinolin-4-ium-9-yl)-1,3-benzoldisulfonat [German] [ACD/IUPAC Name]
4-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chroméno[2,3-f]quinoléin-4-ium-9-yl)-1,3-benzènedisulfonate [French] [ACD/IUPAC Name]
4-(2,3,6,7,12,13,16,17-Octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-1,3-benzenedisulfonate [ACD/IUPAC Name]
60311-02-6 [RN]
hydrogen 9-(2,4-disulphonatophenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium

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

ZINC04272048 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#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: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

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