ChemSpider 2D Image | 4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(3'H)-ylidene)-2,5-cyclohexadien-1-one | C37H25N5O

4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(3'H)-ylidene)-2,5-cyclohexadien-1-one

  • Molecular FormulaC37H25N5O
  • Average mass555.627 Da
  • Monoisotopic mass555.205933 Da
  • ChemSpider ID95592800

More details:

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

2,5-Cyclohexadien-1-one, 4-(4'''-phenyl[2,2':6',2'':6'',2''':6''',2''''-quinquepyridin]-4'(3'H)-ylidene)- [ACD/Index Name]
4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(3'H)-yliden)-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(3'H)-ylidene)-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-(4'''-Phényl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(3'H)-ylidène)-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 171.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3099.09
ACD/KOC (pH 5.5): 8803.74
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6647.95
ACD/KOC (pH 7.4): 18885.16
Polar Surface Area: 81 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 448.4±7.0 cm3

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