ChemSpider 2D Image | (5'Z)-5'-{[3-(4-Chlorobenzyl)-5-octyl-1H-pyrrol-2-yl]methylene}-4'-methoxy-1H,5'H-2,2'-bipyrrole | C29H34ClN3O

(5'Z)-5'-{[3-(4-Chlorobenzyl)-5-octyl-1H-pyrrol-2-yl]methylene}-4'-methoxy-1H,5'H-2,2'-bipyrrole

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID26628578

  • Double-bond stereo - Double-bond stereo

More details:

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

(5'Z)-5'-{[3-(4-Chlorbenzyl)-5-octyl-1H-pyrrol-2-yl]methylen}-4'-methoxy-1H,5'H-2,2'-bipyrrol [German] [ACD/IUPAC Name]
(5'Z)-5'-{[3-(4-Chlorobenzyl)-5-octyl-1H-pyrrol-2-yl]methylene}-4'-methoxy-1H,5'H-2,2'-bipyrrole [ACD/IUPAC Name]
(5'Z)-5'-{[3-(4-Chlorobenzyl)-5-octyl-1H-pyrrol-2-yl]méthylène}-4'-méthoxy-1H,5'H-2,2'-bipyrrole [French] [ACD/IUPAC Name]
1H-Pyrrole, 3-[(4-chlorophenyl)methyl]-2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-5-octyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 345.8±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 57902.30
ACD/KOC (pH 5.5): 32426.99
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 690893.00
Polar Surface Area: 53 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 413.1±7.0 cm3

Click to predict properties on the Chemicalize site


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