ChemSpider 2D Image | 6-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)amino]methylene}-4-nitro-2,4-cyclohexadien-1-one | C33H30N8O3

6-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)amino]methylene}-4-nitro-2,4-cyclohexadien-1-one

  • Molecular FormulaC33H30N8O3
  • Average mass586.643 Da
  • Monoisotopic mass586.244080 Da
  • ChemSpider ID5215614

More details:

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

2,4-Cyclohexadien-1-one, 6-[[[2-[[4-(diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]amino]methylene]-4-nitro- [ACD/Index Name]
6-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)amino]methylen}-4-nitro-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)amino]methylene}-4-nitro-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-{[(2-{[4-(Diphénylamino)-6-(1-pipéridinyl)-1,3,5-triazin-2-yl]amino}phényl)amino]méthylène}-4-nitro-2,4-cyclohexadién-1-one [French] [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: 751.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.4±35.7 °C
Index of Refraction: 1.727
Molar Refractivity: 166.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 622.11
ACD/KOC (pH 5.5): 3353.84
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.48
ACD/KOC (pH 7.4): 3808.67
Polar Surface Area: 132 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 418.0±5.0 cm3

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