ChemSpider 2D Image | 2-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)imino]methyl}-4-nitrophenol | C33H30N8O3

2-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)imino]methyl}-4-nitrophenol

  • Molecular FormulaC33H30N8O3
  • Average mass586.643 Da
  • Monoisotopic mass586.244080 Da
  • ChemSpider ID35359590

More details:

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

2-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)imino]methyl}-4-nitrophenol [German] [ACD/IUPAC Name]
2-{[(2-{[4-(Diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino}phenyl)imino]methyl}-4-nitrophenol [ACD/IUPAC Name]
2-{[(2-{[4-(Diphénylamino)-6-(1-pipéridinyl)-1,3,5-triazin-2-yl]amino}phényl)imino]méthyl}-4-nitrophénol [French] [ACD/IUPAC Name]
Phenol, 2-[[[2-[[4-(diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]imino]methyl]-4-nitro- [ACD/Index 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: 825.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 453.1±37.1 °C
Index of Refraction: 1.696
Molar Refractivity: 169.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 3603.88
ACD/KOC (pH 5.5): 9032.54
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 99.79
ACD/KOC (pH 7.4): 250.11
Polar Surface Area: 136 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 439.4±7.0 cm3

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