ChemSpider 2D Image | (3E,5E)-3,5-Bis(4-methoxybenzylidene)-8-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine | C34H31NO3

(3E,5E)-3,5-Bis(4-methoxybenzylidene)-8-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine

  • Molecular FormulaC34H31NO3
  • Average mass501.615 Da
  • Monoisotopic mass501.230408 Da
  • ChemSpider ID4514105

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E)-3,5-Bis(4-methoxybenzyliden)-8-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridin [German] [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-methoxybenzylidene)-8-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-méthoxybenzylidène)-8-(4-méthoxyphényl)-1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine [French] [ACD/IUPAC Name]
Dicyclopenta[b,e]pyridine, 1,2,3,5,6,7-hexahydro-8-(4-methoxyphenyl)-3,5-bis[(4-methoxyphenyl)methylene]-, (3E,5E)- [ACD/Index Name]
65729-48-8 [RN]

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

NSC295545 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 236.3±21.8 °C
Index of Refraction: 1.670
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 69897.01
ACD/KOC (pH 5.5): 68286.88
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 277300.53
ACD/KOC (pH 7.4): 270912.72
Polar Surface Area: 41 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

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