ChemSpider 2D Image | (1R,1'R,5'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.0~1,10~.0~2,7~]heptadecane)-2,2'(7'),4,6-tetraene | C32H46N4

(1R,1'R,5'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecane)-2,2'(7'),4,6-tetraene

  • Molecular FormulaC32H46N4
  • Average mass486.734 Da
  • Monoisotopic mass486.372253 Da
  • ChemSpider ID23282020
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1R,1'R,5'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecan)-2,2'(7'),4,6-tetraen [German] [ACD/IUPAC Name]
(1R,1'R,5'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Dimethyl-4,5'-bi(6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecane)-2,2'(7'),4,6-tetraene [ACD/IUPAC Name]
(1R,1'R,5'R,9S,9'S,10R,10'R,16R,16'R)-16,16'-Diméthyl-4,5'-bi(6,14-diazatétracyclo[7.5.3.01,10.02,7]heptadécane)-2,2'(7'),4,6-tétraène [French] [ACD/IUPAC Name]
(4aR,5S,8R,10bR,12R)-12-methyl-8-[(4aR,5S,10bR,12R)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-propano-1,7-phenanthrolin-9-yl]-2,3,4,4a,5,6,7,8,9,10-decahydro-1H-5,10b-propano-1,7-phenanthroline
1H-5,10b-Propano-1,7-phenanthroline, 8-[(4aR,5S,10bR,12R)-2,3,4,4a,5,6-hexahydro-12-methyl-1H-5,10b-propano-1,7-phenanthrolin-9-yl]-2,3,4,4a,5,6,7,8,9,10-decahydro-12-methyl-, (4aR,5S,8R,10bR,12R)- [ACD/Index Name]
complanadines D

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: 1.627
Molar Refractivity: 145.5±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): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 49 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

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