ChemSpider 2D Image | 6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-ylidene]-3-(octyloxy)-2,4-cyclohexadien-1-one | C33H39N3O2

6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-ylidene]-3-(octyloxy)-2,4-cyclohexadien-1-one

  • Molecular FormulaC33H39N3O2
  • Average mass509.682 Da
  • Monoisotopic mass509.303986 Da
  • ChemSpider ID5254110

More details:

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

2,4-Cyclohexadien-1-one, 6-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-ylidene]-3-(octyloxy)- [ACD/Index Name]
6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-yliden]-3-(octyloxy)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
6-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2(5H)-ylidene]-3-(octyloxy)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
6-[4,6-Bis(2,4-diméthylphényl)-1,3,5-triazin-2(5H)-ylidène]-3-(octyloxy)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
195628-73-0 [RN]
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol [ACD/IUPAC Name]
2725-22-6 [RN]
6-[4,6-BIS(2,4-DIMETHYLPHENYL)-5H-1,3,5-TRIAZIN-2-YLIDENE]-3-(OCTYLOXY)CYCLOHEXA-2,4-DIEN-1-ONE
Phenol, 2-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl-5-(octyloxy)-, branched and linear

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

LS-181651 [DBID]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 637.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 94.2±0.0 kJ/mol
Flash Point: 339.5±0.0 °C
Index of Refraction: 1.584
Molar Refractivity: 154.9±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1316726.00
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1386814.38
Polar Surface Area: 63 Å2
Polarizability: 61.4±0.0 10-24cm3
Surface Tension: 39.0±0.0 dyne/cm
Molar Volume: 462.6±0.0 cm3

Click to predict properties on the Chemicalize site


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