ChemSpider 2D Image | 4-{3-[2-(5-Ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl} 1-methyl 4a-[2-(5-ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylate | C42H52N4O4

4-{3-[2-(5-Ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl} 1-methyl 4a-[2-(5-ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylate

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID167580

More details:

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

2H-Carbazole-1,4-dicarboxylic acid, 4a-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-3,4,4a,9-tetrahydro-9-methyl-, 4-[3-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl] 1-methyl ester [ACD/Index Name]
4-{3-[2-(5-Ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl} 1-methyl 4a-[2-(5-ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylate [ACD/IUPAC Name]
4-{3-[2-(5-Ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}-1-methyl-4a-[2-(5-ethyl-3,6-dihydro-1(2H)-pyridinyl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2H-carbazol-1,4-dicarboxylat [German] [ACD/IUPAC Name]
4a-[2-(5-Éthyl-3,6-dihydro-1(2H)-pyridinyl)éthyl]-9-méthyl-3,4,4a,9-tétrahydro-2H-carbazole-1,4-dicarboxylate de 4-{3-[2-(5-éthyl-3,6-dihydro-1(2H)-pyridinyl)éthyl]-1H-indol-2-yle} et de 1-méthyle [French] [ACD/IUPAC Name]
29089-93-8 [RN]
34643-12-4 [RN]
4-{3-[2-(3-ETHYL-5,6-DIHYDRO-2H-PYRIDIN-1-YL)ETHYL]-1H-INDOL-2-YL} 1-METHYL 4A-[2-(3-ETHYL-5,6-DIHYDRO-2H-PYRIDIN-1-YL)ETHYL]-9-METHYL-3,4-DIHYDRO-2H-CARBAZOLE-1,4-DICARBOXYLATE
4-{3-[2-(5-ETHYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]-1H-INDOL-2-YL} 1-METHYL 4A-[2-(5-ETHYL-1,2,3,6-TETRAHYDROPYRIDIN-1-YL)ETHYL]-9-METHYL-3,4,4A,9-TETRAHYDRO-2H-CARBAZOLE-1,4-DICARBOXYLATE
4-{3-[2-(5-ETHYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)ETHYL]-1H-INDOL-2-YL} 1-METHYL 4A-[2-(5-ETHYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)ETHYL]-9-METHYL-3,4,4A,9-TETRAHYDRO-2H-CARBAZOLE-1,4-DICARBOXYLATE
4a-(2-(3-Ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-4-(3-(2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-1H-indol-2-yl)-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylic acid, dimethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 198.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 40.51
ACD/KOC (pH 5.5): 33.82
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 1350.02
ACD/KOC (pH 7.4): 1127.21
Polar Surface Area: 78 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 544.5±5.0 cm3

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