ChemSpider 2D Image | (6Z)-6-[5-(4-Methoxyphenyl)-5'-methyl-1,2'-diphenyl-1',2',4,5-tetrahydro-1H,3'H-3,4'-bipyrazol-3'-ylidene]-3-methyl-2,4-cyclohexadien-1-one | C33H30N4O2

(6Z)-6-[5-(4-Methoxyphenyl)-5'-methyl-1,2'-diphenyl-1',2',4,5-tetrahydro-1H,3'H-3,4'-bipyrazol-3'-ylidene]-3-methyl-2,4-cyclohexadien-1-one

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID4580007

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-[5-(4-Methoxyphenyl)-5'-methyl-1,2'-diphenyl-1',2',4,5-tetrahydro-1H,3'H-3,4'-bipyrazol-3'-yliden]-3-methyl-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6Z)-6-[5-(4-Methoxyphenyl)-5'-methyl-1,2'-diphenyl-1',2',4,5-tetrahydro-1H,3'H-3,4'-bipyrazol-3'-ylidene]-3-methyl-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6Z)-6-[5-(4-Méthoxyphényl)-5'-méthyl-1,2'-diphényl-1',2',4,5-tétrahydro-1H,3'H-3,4'-bipyrazol-3'-ylidène]-3-méthyl-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[4,5-dihydro-5-(4-methoxyphenyl)-5'-methyl-1,2'-diphenyl[3,4'-bi-1H-pyrazol]-3'(2'H)-ylidene]-3-methyl-, (6Z)- [ACD/Index Name]

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

AIDS094154 [DBID]
AIDS-094154 [DBID]
NSC688997 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6667.06
ACD/KOC (pH 5.5): 18972.78
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6700.87
ACD/KOC (pH 7.4): 19068.99
Polar Surface Area: 57 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 424.1±7.0 cm3

Click to predict properties on the Chemicalize site


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