ChemSpider 2D Image | (5S,6S,10R,14E)-14-(2,4-Dichlorobenzylidene)-10-(2,4-dichlorophenyl)-3,9-diphenyl-12-[(1R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene | C41H31Cl4N3O3

(5S,6S,10R,14E)-14-(2,4-Dichlorobenzylidene)-10-(2,4-dichlorophenyl)-3,9-diphenyl-12-[(1R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene

  • Molecular FormulaC41H31Cl4N3O3
  • Average mass755.515 Da
  • Monoisotopic mass753.111938 Da
  • ChemSpider ID24739364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6S,10R,14E)-14-(2,4-Dichlorbenzyliden)-10-(2,4-dichlorphenyl)-3,9-diphenyl-12-[(1R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-dien [German] [ACD/IUPAC Name]
(5S,6S,10R,14E)-14-(2,4-Dichlorobenzylidene)-10-(2,4-dichlorophenyl)-3,9-diphenyl-12-[(1R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene [ACD/IUPAC Name]
(5S,6S,10R,14E)-14-(2,4-Dichlorobenzylidène)-10-(2,4-dichlorophényl)-3,9-diphényl-12-[(1R)-1-phényléthyl]-1,4,7-trioxa-2,8,12-triazadispiro[4.0.4.4]tétradéca-2,8-diène [French] [ACD/IUPAC Name]
1,4,7-Trioxa-2,8,12-triazadispiro[4.0.4.4]tetradeca-2,8-diene, 10-(2,4-dichlorophenyl)-14-[(2,4-dichlorophenyl)methylene]-3,9-diphenyl-12-[(1R)-1-phenylethyl]-, (5S,6S,10R,14E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 794.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.2±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 204.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 10.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5081085.00
ACD/LogD (pH 7.4): 11.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 549.6±7.0 cm3

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