ChemSpider 2D Image | Dimethyl (2Z,2'Z)-3,3'-{2,6-pyridinediylbis[carbonylimino-1H-isoindol-3-yl-1-ylidene(Z)azanylylidene(3,4-diethyl-1H-pyrrole-5,2-diyl)]}bis(2-cyanoacrylate) | C49H43N11O6

Dimethyl (2Z,2'Z)-3,3'-{2,6-pyridinediylbis[carbonylimino-1H-isoindol-3-yl-1-ylidene(Z)azanylylidene(3,4-diethyl-1H-pyrrole-5,2-diyl)]}bis(2-cyanoacrylate)

  • Molecular FormulaC49H43N11O6
  • Average mass881.936 Da
  • Monoisotopic mass881.339783 Da
  • ChemSpider ID30652976

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyano-3-{5-[(Z)-(3-{[(6-{[(1E)-3-({5-[(1Z)-2-cyano-3-méthoxy-3-oxo-1-propén-1-yl]-3,4-diéthyl-1H-pyrrol-2-yl}amino)-1H-isoindol-1-ylidène]carbamoyl}-2-pyridinyl)carbonyl]amino}-1H-isoindol-1-yl idène)amino]-3,4-diéthyl-1H-pyrrol-2-yl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3,3'-[2,6-pyridinediylbis[carbonylimino-1H-isoindol-3-yl-1-ylidenenitrilo(3,4-diethyl-1H-pyrrole-5,2-diyl)]]bis[2-cyano-, dimethyl ester, (2Z,2'Z)- [ACD/Index Name]
Dimethyl (2Z,2'Z)-3,3'-{2,6-pyridinediylbis[carbonylimino-1H-isoindol-3-yl-1-ylidene(Z)azanylylidene(3,4-diethyl-1H-pyrrole-5,2-diyl)]}bis(2-cyanoacrylate) [ACD/IUPAC Name]
Dimethyl-(2Z,2'Z)-3,3'-{2,6-pyridindiylbis[carbonylimino-1H-isoindol-3-yl-1-yliden(Z)azanylyliden(3,4-diethyl-1H-pyrrol-5,2-diyl)]}bis(2-cyanacrylat) [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 246.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9180.35
ACD/KOC (pH 5.5): 23831.24
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 6577.21
ACD/KOC (pH 7.4): 17073.77
Polar Surface Area: 252 Å2
Polarizability: 97.9±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 651.5±7.0 cm3

Click to predict properties on the Chemicalize site


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