ChemSpider 2D Image | 3-[1-(1-Benzyl-4-piperidinyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione | C33H30N4O2

3-[1-(1-Benzyl-4-piperidinyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID8133734

More details:

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

1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-[1-[1-(phenylmethyl)-4-piperidinyl]-1H-indol-3-yl]- [ACD/Index Name]
3-[1-(1-Benzyl-4-piperidinyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[1-(1-Benzyl-4-piperidinyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[1-(1-Benzyl-4-pipéridinyl)-1H-indol-3-yl]-4-(1-méthyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(1-(1-benzylpiperidin-4-yl)-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
3-[1-(1-Benzyl-piperidin-4-yl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-pyrrole-2,5-dione
CHEMBL300549
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL300549/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 33.81
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 368.64
ACD/KOC (pH 7.4): 1064.66
Polar Surface Area: 59 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 394.2±7.0 cm3

Click to predict properties on the Chemicalize site


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