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ChemSpider 2D Image | (1R,1'R,2'R,5'S,7'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[,10~.0~2,7~]heptadecane)-2,4,6-triene | C32H48N4


  • Molecular FormulaC32H48N4
  • Average mass488.750 Da
  • Monoisotopic mass488.387909 Da
  • ChemSpider ID26380327
  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,1'R,2'R,5'S,7'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[,10.02,7]heptadecan)-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,1'R,2'R,5'S,7'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[,10.02,7]heptadecane)-2,4,6-triene [ACD/IUPAC Name]
(1R,1'R,2'R,5'S,7'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Diméthyl-4,5'-bi(6,14-diazatétracyclo[,10.02,7]heptadécane)-2,4,6-triène [French] [ACD/IUPAC Name]
1H-5,10b-Propano-1,7-phenanthroline, 9-[(4aR,5S,6aR,8S,10aR,10bR,12R)-dodecahydro-12-methyl-1H-5,10b-propano-1,7-phenanthrolin-8-yl]-2,3,4,4a,5,6-hexahydro-12-methyl-, (4aR,5S,10bR,12R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 418.6±5.0 cm3

Click to predict properties on the Chemicalize site