ChemSpider 2D Image | 2-(4-Methoxybenzyl)-4-[({4-[(4-methoxyphenyl)amino]phenyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione | C31H27N3O4

2-(4-Methoxybenzyl)-4-[({4-[(4-methoxyphenyl)amino]phenyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID5242013

More details:

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

1,3(2H,4H)-Isoquinolinedione, 4-[[[4-[(4-methoxyphenyl)amino]phenyl]amino]methylene]-2-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(4-Methoxybenzyl)-4-[({4-[(4-methoxyphenyl)amino]phenyl}amino)methylen]-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
2-(4-Méthoxybenzyl)-4-[({4-[(4-méthoxyphényl)amino]phényl}amino)méthylène]-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
2-(4-Methoxybenzyl)-4-[({4-[(4-methoxyphenyl)amino]phenyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2600.82
ACD/KOC (pH 5.5): 9683.47
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2602.90
ACD/KOC (pH 7.4): 9691.24
Polar Surface Area: 80 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

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