ChemSpider 2D Image | 5-({4-Anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[3-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzenesulfonic acid | C40H44N12O10S2

5-({4-Anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[3-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzenesulfonic acid

  • Molecular FormulaC40H44N12O10S2
  • Average mass916.982 Da
  • Monoisotopic mass916.274475 Da
  • ChemSpider ID8116832

  • Double-bond stereo - Double-bond stereo

More details:

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

5-({4-Anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[3-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzenesulfonic acid [ACD/IUPAC Name]
5-({4-Anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[3-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]vinyl}benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 5-({4-anilino-6-[bis(2-hydroxyéthyl)amino]-1,3,5-triazin-2-yl}amino)-2-{(E)-2-[3-({4-anilino-6-[bis(2-hydroxyéthyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophényl]vinyl}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[3-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethe nyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 232.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability: 92.2±0.5 10-24cm3
Surface Tension: 107.5±3.0 dyne/cm
Molar Volume: 573.7±3.0 cm3

Click to predict properties on the Chemicalize site


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