ChemSpider 2D Image | 4-[(E)-{3,3'-Dichloro-4'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-biphenylyl}diazenyl]-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C32H24Cl2N8O2

4-[(E)-{3,3'-Dichloro-4'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-biphenylyl}diazenyl]-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC32H24Cl2N8O2
  • Average mass623.491 Da
  • Monoisotopic mass622.139954 Da
  • ChemSpider ID128948160

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 4-[(E)-2-[3,3'-dichloro-4'-[(E)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-1,2-dihydro-5-methyl-2-phenyl- [ACD/Index Name]
4-[(E)-{3,3'-Dichlor-4'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-biphenylyl}diazenyl]-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(E)-{3,3'-Dichloro-4'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-biphenylyl}diazenyl]-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(E)-{3,3'-Dichloro-4'-[(E)-(5-hydroxy-3-méthyl-1-phényl-1H-pyrazol-4-yl)diazényl]-4-biphénylyl}diazényl]-5-méthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3520-72-7 [RN]
4-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
4-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 433.3±35.7 °C
Index of Refraction: 1.714
Molar Refractivity: 171.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 60194.09
ACD/KOC (pH 5.5): 72477.51
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 1424.44
ACD/KOC (pH 7.4): 1715.11
Polar Surface Area: 120 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 436.8±7.0 cm3

Click to predict properties on the Chemicalize site


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