ChemSpider 2D Image | 8,8'-Bis(anilinomethylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione | C42H40N2O6

8,8'-Bis(anilinomethylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID4512223

More details:

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

[2,2'-Binaphthalene]-7,7'(8H,8'H)-dione, 1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(phenylamino)methylene]- [ACD/Index Name]
8,8'-Bis(anilinomethylen)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-7,7'(8H,8'H)-dion [German] [ACD/IUPAC Name]
8,8'-Bis(anilinométhylène)-1,1',6,6'-tétrahydroxy-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-7,7'(8H,8'H)-dione [French] [ACD/IUPAC Name]
8,8'-Bis(anilinomethylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-7,7'(8H,8'H)-dione [ACD/IUPAC Name]
6952-36-9 [RN]

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

NSC61821 [DBID]
NSC652732 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.8±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 199.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 11.60
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1171888.50
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 39185.88
ACD/KOC (pH 7.4): 19723.26
Polar Surface Area: 139 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 476.6±3.0 cm3

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