ChemSpider 2D Image | (2E)-2-{(2E)-2-[(2,6-Dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-3-{(2Z)-2-[(2,6-dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-2-butenedinitrile | C34H18Cl4N6

(2E)-2-{(2E)-2-[(2,6-Dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-3-{(2Z)-2-[(2,6-dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-2-butenedinitrile

  • Molecular FormulaC34H18Cl4N6
  • Average mass652.359 Da
  • Monoisotopic mass650.034729 Da
  • ChemSpider ID30653382

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{(2E)-2-[(2,6-Dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-3-{(2Z)-2-[(2,6-dichlorophenyl)(1H-pyrrol-2-yl)methylene]-2H-pyrrol-5-yl}-2-butenedinitrile [ACD/IUPAC Name]
(2E)-2-{(2E)-2-[(2,6-Dichlorophényl)(1H-pyrrol-2-yl)méthylène]-2H-pyrrol-5-yl}-3-{(2Z)-2-[(2,6-dichlorophényl)(1H-pyrrol-2-yl)méthylène]-2H-pyrrol-5-yl}-2-butènedinitrile [French] [ACD/IUPAC Name]
(2E)-2-{(2E)-2-[(2,6-Dichlorphenyl)(1H-pyrrol-2-yl)methylen]-2H-pyrrol-5-yl}-3-{(2Z)-2-[(2,6-dichlorphenyl)(1H-pyrrol-2-yl)methylen]-2H-pyrrol-5-yl}-2-butendinitril [German] [ACD/IUPAC Name]
2-Butenedinitrile, 2-[(2E)-2-[(2,6-dichlorophenyl)-1H-pyrrol-2-ylmethylene]-2H-pyrrol-5-yl]-3-[(2Z)-2-[(2,6-dichlorophenyl)-1H-pyrrol-2-ylmethylene]-2H-pyrrol-5-yl]-, (2E)- [ACD/Index 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: 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: 431.7±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 178.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 250769.02
ACD/KOC (pH 5.5): 247529.61
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 277673.47
ACD/KOC (pH 7.4): 274086.50
Polar Surface Area: 104 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 457.3±7.0 cm3

Click to predict properties on the Chemicalize site


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