ChemSpider 2D Image | (8E)-8-({[(3Z)-4-Methyl-3-({[(5Z)-5-({[(1Z)-5-{[(1Z)-2-methyl-5-{[(1E)-4,6,8-trisulfo-1(2H)-naphthalenylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}im ino)-1,3-cyclohexadien-1-yl]carbonyl}imino)-1,4-cyclohexadien-1-yl]carbonyl}imino)-7,8-dihydro-1,3,5-naphthalenetrisulfonic acid | C51H40N6O23S6

(8E)-8-({[(3Z)-4-Methyl-3-({[(5Z)-5-({[(1Z)-5-{[(1Z)-2-methyl-5-{[(1E)-4,6,8-trisulfo-1(2H)-naphthalenylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}im ino)-1,3-cyclohexadien-1-yl]carbonyl}imino)-1,4-cyclohexadien-1-yl]carbonyl}imino)-7,8-dihydro-1,3,5-naphthalenetrisulfonic acid

  • Molecular FormulaC51H40N6O23S6
  • Average mass1297.280 Da
  • Monoisotopic mass1296.046875 Da
  • ChemSpider ID30841363

  • Double-bond stereo - Double-bond stereo

More details:

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

(8E)-8-({[(3Z)-4-Methyl-3-({[(5Z)-5-({[(1Z)-5-{[(1Z)-2-methyl-5-{[(1E)-4,6,8-trisulfo-1(2H)-naphthalenylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}-2,4-cyclohexadien-1-ylidene]carbamoyl}im ino)-1,3-cyclohexadien-1-yl]carbonyl}imino)-1,4-cyclohexadien-1-yl]carbonyl}imino)-7,8-dihydro-1,3,5-naphthalenetrisulfonic acid [ACD/IUPAC Name]
(8E)-8-({[(3Z)-4-Methyl-3-({[(5Z)-5-({[(1Z)-5-{[(1Z)-2-methyl-5-{[(1E)-4,6,8-trisulfo-1(2H)-naphthalinyliden]carbamoyl}-2,4-cyclohexadien-1-yliden]carbamoyl}-2,4-cyclohexadien-1-yliden]carbamoyl}imino )-1,3-cyclohexadien-1-yl]carbonyl}imino)-1,4-cyclohexadien-1-yl]carbonyl}imino)-7,8-dihydro-1,3,5-naphthalintrisulfonsäure [German] [ACD/IUPAC Name]
1,3,5-Naphthalenetrisulfonic acid, 7,8-dihydro-8-[[[(3Z)-4-methyl-3-[[[(5Z)-5-[[[[(1Z)-5-[[[(1Z)-2-methyl-5-[[[(1E)-4,6,8-trisulfo-1(2H)-naphthalenylidene]amino]carbonyl]-2,4-cyclohexadien-1-ylidene]a mino]carbonyl]-2,4-cyclohexadien-1-ylidene]amino]carbonyl]imino]-1,3-cyclohexadien-1-yl]carbonyl]imino]-1,4-cyclohexadien-1-yl]carbonyl]imino]-, (8E)- [ACD/Index Name]
Acide (8E)-8-({[(3Z)-4-méthyl-3-({[(5Z)-5-({[(1Z)-5-{[(1Z)-2-méthyl-5-{[(1E)-4,6,8-trisulfo-1(2H)-naphtalénylidène]carbamoyl}-2,4-cyclohexadién-1-ylidène]carbamoyl}-2,4-cyclohexadién-1-ylidène]carbamo yl}imino)-1,3-cyclohexadién-1-yl]carbonyl}imino)-1,4-cyclohexadién-1-yl]carbonyl}imino)-7,8-dihydro-1,3,5-naphtalènetrisulfonique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 303.1±0.5 cm3
#H bond acceptors: 29
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 536 Å2
Polarizability: 120.1±0.5 10-24cm3
Surface Tension: 84.2±7.0 dyne/cm
Molar Volume: 738.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement