ChemSpider 2D Image | 5,5'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazenediyl]bis(6-amino-2-naphthalenesulfonic acid) | C34H28N6O6S2

5,5'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazenediyl]bis(6-amino-2-naphthalenesulfonic acid)

  • Molecular FormulaC34H28N6O6S2
  • Average mass680.753 Da
  • Monoisotopic mass680.151184 Da
  • ChemSpider ID379299

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Naphthalenesulfonic acid, 5,5'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)di(E)-2,1-diazenediyl]bis[6-amino- [ACD/Index Name]
5,5'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazendiyl]bis(6-amino-2-naphthalinsulfonsäure) [German] [ACD/IUPAC Name]
5,5'-[(3,3'-Dimethyl-4,4'-biphenyldiyl)di(E)-2,1-diazenediyl]bis(6-amino-2-naphthalenesulfonic acid) [ACD/IUPAC Name]
Acide 5,5'-[(3,3'-diméthyl-4,4'-biphényldiyl)di(E)-2,1-diazènediyl]bis(6-amino-2-naphtalènesulfonique) [French] [ACD/IUPAC Name]
6406-01-5 [RN]
Benzopurpurine B
C.I. Direct Red 21
Hispamin Red B

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

C.I. 23560 [DBID]
NSC242027 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 180.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 453.2±7.0 cm3

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