ChemSpider 2D Image | 1-Ethyl-4,10-diisopropyl-13,14-diphenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetrone | C32H34N2O4

1-Ethyl-4,10-diisopropyl-13,14-diphenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID4330448

More details:






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

1-Ethyl-4,10-diisopropyl-13,14-diphenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-3,5,9,11-tetron [German] [ACD/IUPAC Name]
1-Ethyl-4,10-diisopropyl-13,14-diphenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone [ACD/IUPAC Name]
1-Éthyl-4,10-diisopropyl-13,14-diphényl-4,10-diazatétracyclo[5.5.2.02,6.08,12]tétradéc-13-ène-3,5,9,11-tétrone [French] [ACD/IUPAC Name]
4,8-Ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 4-ethyl-3a,4,4a,7a,8,8a-hexahydro-2,6-bis(1-methylethyl)-9,10-diphenyl- [ACD/Index Name]
1005118-28-4 [RN]
4-ethyl-9,10-diphenyl-2,6-di(propan-2-yl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 285.9±23.9 °C
Index of Refraction: 1.606
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18134.61
ACD/KOC (pH 5.5): 38889.03
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18134.61
ACD/KOC (pH 7.4): 38889.03
Polar Surface Area: 75 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

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