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

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

  • Molecular FormulaC37H25N5O
  • Average mass555.627 Da
  • Monoisotopic mass555.205933 Da
  • ChemSpider ID35518998

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'(1'H)-ylidene)- [ACD/Index Name]
4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(1'H)-yliden)-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-(4'''-Phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(1'H)-ylidene)-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-(4'''-Phényl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridin-4'(1'H)-ylidène)-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
4-(44-Phenyl[12,22:26,32:36,42:46,52-quinquepyridin]-24(21H)-ylidene)cyclohexa-2,5-dien-1-one
4'-(4-Phenol)-4'''-phenyl-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine
845781-58-0 [RN]
Phenol, 4-(4'''-phenyl[2,2':6',2'':6'',2''':6''',2''''-quinquepyridin]-4'-yl)- [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: 796.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.8±3.0 kJ/mol
    Flash Point: 435.5±32.9 °C
    Index of Refraction: 1.685
    Molar Refractivity: 165.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 147.31
    ACD/KOC (pH 5.5): 507.67
    ACD/LogD (pH 7.4): 4.90
    ACD/BCF (pH 7.4): 3032.41
    ACD/KOC (pH 7.4): 10450.71
    Polar Surface Area: 81 Å2
    Polarizability: 65.5±0.5 10-24cm3
    Surface Tension: 60.9±3.0 dyne/cm
    Molar Volume: 434.6±3.0 cm3

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