ChemSpider 2D Image | (1R,8S,9R,1'R,8'S,9'R)-8,8'-[1,4-Phenylenebis(methylene)]bis[10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.0~2,7~]undeca-2,4,6-triene] | C54H50N4

(1R,8S,9R,1'R,8'S,9'R)-8,8'-[1,4-Phenylenebis(methylene)]bis[10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene]

  • Molecular FormulaC54H50N4
  • Average mass755.002 Da
  • Monoisotopic mass754.403564 Da
  • ChemSpider ID9105933

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,8S,9R,1'R,8'S,9'R)-8,8'-(1,4-Phenylendimethylen)bis[10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien] [German] [ACD/IUPAC Name]
(1R,8S,9R,1'R,8'S,9'R)-8,8'-(1,4-Phénylènediméthylène)bis[10,10-diméthyl-5-(6-phényl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undéca-2,4,6-triène] [French] [ACD/IUPAC Name]
(1R,8S,9R,1'R,8'S,9'R)-8,8'-[1,4-Phenylenebis(methylene)]bis[10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene] [ACD/IUPAC Name]
5,7-Methanoquinoline, 8,8'-[1,4-phenylenebis(methylene)]bis[5,6,7,8-tetrahydro-6,6-dimethyl-2-(6-phenyl-2-pyridinyl)-, (5R,7R,8S,5'R,7'R,8'S)- [ACD/Index Name]

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: 1.638
Molar Refractivity: 232.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 13.74
ACD/LogD (pH 5.5): 13.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 52 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 648.1±3.0 cm3

Click to predict properties on the Chemicalize site


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