ChemSpider 2D Image | Tetraethyl 1,1'-(4,4'-biphenyldiyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) | C36H40N2O8

Tetraethyl 1,1'-(4,4'-biphenyldiyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID4191550

More details:

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

1,1'-(4,4'-Biphényldiyl)bis(2,5-diméthyl-1H-pyrrole-3,4-dicarboxylate) de tétraéthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3,4-dicarboxylic acid, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2,5-dimethyl-, tetraethyl ester [ACD/Index Name]
56913-55-4 [RN]
Tetraethyl 1,1'-(1,1'-biphenyl-4,4'-diyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
Tetraethyl 1,1'-(4,4'-biphenyldiyl)bis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate) [ACD/IUPAC Name]
Tetraethyl-1,1'-(4,4'-biphenyldiyl)bis(2,5-dimethyl-1H-pyrrol-3,4-dicarboxylat) [German] [ACD/IUPAC Name]
diethyl 1-[4-[4-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]phenyl]phenyl]-2,5-dimethylpyrrole-3,4-dicarboxylate

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

AA-504/33314014 [DBID]
ZINC08383385 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 173.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 371106.88
ACD/KOC (pH 5.5): 337458.72
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 371106.88
ACD/KOC (pH 7.4): 337458.72
Polar Surface Area: 115 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 526.5±7.0 cm3

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