ChemSpider 2D Image | (2E)-3-[1-(4-Methylbenzyl)-1H-indol-3-yl]-2-(2-naphthyl)acrylonitrile | C29H22N2

(2E)-3-[1-(4-Methylbenzyl)-1H-indol-3-yl]-2-(2-naphthyl)acrylonitrile

  • Molecular FormulaC29H22N2
  • Average mass398.498 Da
  • Monoisotopic mass398.178314 Da
  • ChemSpider ID68609760

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[1-(4-Methylbenzyl)-1H-indol-3-yl]-2-(2-naphthyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-[1-(4-Methylbenzyl)-1H-indol-3-yl]-2-(2-naphthyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-[1-(4-Méthylbenzyl)-1H-indol-3-yl]-2-(2-naphtyl)acrylonitrile [French] [ACD/IUPAC Name]
2-Naphthaleneacetonitrile, α-[[1-[(4-methylphenyl)methyl]-1H-indol-3-yl]methylene]-, (αE)- [ACD/Index Name]
(2E)-3-{1-[(4-METHYLPHENYL)METHYL]-1H-INDOL-3-YL}-2-(NAPHTHALEN-2-YL)PROP-2-ENENITRILE
(2E)-3-{1-[(4-METHYLPHENYL)METHYL]INDOL-3-YL}-2-(NAPHTHALEN-2-YL)PROP-2-ENENITRILE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 376068.41
ACD/KOC (pH 5.5): 340681.56
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 376068.41
ACD/KOC (pH 7.4): 340681.56
Polar Surface Area: 29 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 363.2±7.0 cm3

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