ChemSpider 2D Image | 4,4'-[1,3-Phenylenebis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] | C30H28N6O2

4,4'-[1,3-Phenylenebis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]

  • Molecular FormulaC30H28N6O2
  • Average mass504.582 Da
  • Monoisotopic mass504.227386 Da
  • ChemSpider ID4448388

More details:

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

3H-Pyrazol-3-one, 4,4'-[1,3-phenylenebis(iminomethylidyne)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)- [ACD/Index Name]
4,4'-[1,3-Phenylenbis(iminomethylyliden)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-on] [German] [ACD/IUPAC Name]
4,4'-[1,3-Phenylenebis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] [ACD/IUPAC Name]
4,4'-[1,3-Phénylènebis(iminométhylylidène)]bis[5-méthyl-2-(4-méthylphényl)-2,4-dihydro-3H-pyrazol-3-one] [French] [ACD/IUPAC Name]
3-methyl-4-({[3-({[3-methyl-1-(4-methylphenyl)-5-oxo(1,2-diazolin-4-ylidene)]methyl}amino)phenyl]amino}methylene)-1-(4-methylphenyl)-1,2-diazolin-5-one
4,4'-[benzene-1,3-diylbis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]

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

A0823/0038544 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.9±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 5.22
ACD/KOC (pH 5.5): 32.86
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 331.47
ACD/KOC (pH 7.4): 2086.08
Polar Surface Area: 89 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 403.8±7.0 cm3

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