ChemSpider 2D Image | Dimethyl 5,5'-{methylenebis[4,1-phenylenenitrilo(E)methylylidene]}bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) | C31H32N4O4

Dimethyl 5,5'-{methylenebis[4,1-phenylenenitrilo(E)methylylidene]}bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID22857834
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Pyrrole-3-carboxylic acid, 5,5'-[methylenebis[4,1-phenylenenitrilo(E)methylidyne]]bis[2,4-dimethyl-, dimethyl ester [ACD/Index Name]
5,5'-{Méthylènebis[4,1-phénylènenitrilo(E)méthylylidène]}bis(2,4-diméthyl-1H-pyrrole-3-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5,5'-{methylenebis[4,1-phenylenenitrilo(E)methylylidene]}bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) [ACD/IUPAC Name]
Dimethyl-5,5'-{methylenbis[4,1-phenylennitrilo(E)methylyliden]}bis(2,4-dimethyl-1H-pyrrol-3-carboxylat) [German] [ACD/IUPAC Name]
371227-46-2 [RN]
dimethyl 5,5'-((1E,1'E)-((methylenebis(4,1-phenylene))bis(azanylylidene))bis(methanylylidene))bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
dimethyl 5,5'-{methanediylbis[benzene-4,1-diylnitrilo(E)methylylidene]}bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)
METHYL 5-[(E)-[4-[[4-[(4-METHOXYCARBONYL-3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENEAMINO]PHENYL]METHYL]PHENYL]IMINOMETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10629.17
ACD/KOC (pH 5.5): 26300.17
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10957.10
ACD/KOC (pH 7.4): 27111.59
Polar Surface Area: 109 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 438.0±7.0 cm3

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