ChemSpider 2D Image | 2-Methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene}methyl)phenyl]amino}benzenesulfonic acid | C40H35N3O3S

2-Methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene}methyl)phenyl]amino}benzenesulfonic acid

  • Molecular FormulaC40H35N3O3S
  • Average mass637.789 Da
  • Monoisotopic mass637.239929 Da
  • ChemSpider ID21172460

More details:

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

229-139-7 [EINECS]
2-Methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-yliden}methyl)phenyl]amino}benzolsulfonsäure [German] [ACD/IUPAC Name]
2-Methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}{4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene}methyl)phenyl]amino}benzenesulfonic acid [ACD/IUPAC Name]
6417-46-5 [RN]
Acide 2-méthyl-4-{[4-({4-[(3-méthylphényl)amino]phényl}{4-[(3-méthylphényl)imino]-2,5-cyclohexadién-1-ylidène}méthyl)phényl]amino}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]- [ACD/Index Name]
2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-tolylimino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 190.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 40.41
ACD/KOC (pH 5.5): 51.73
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 35.31
ACD/KOC (pH 7.4): 45.20
Polar Surface Area: 99 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 533.1±7.0 cm3

Click to predict properties on the Chemicalize site


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