ChemSpider 2D Image | 1,1',1''-Trimethyl-2,2',2'',3,3',3'',8,8',8'',8a,8a',8a''-dodecahydro-1H,1'H,1''H-3a,3a':7',3a''-terpyrrolo[2,3-b]indole | C33H38N6

1,1',1''-Trimethyl-2,2',2'',3,3',3'',8,8',8'',8a,8a',8a''-dodecahydro-1H,1'H,1''H-3a,3a':7',3a''-terpyrrolo[2,3-b]indole

  • Molecular FormulaC33H38N6
  • Average mass518.695 Da
  • Monoisotopic mass518.315796 Da
  • ChemSpider ID141644

More details:

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

1,1',1''-Trimethyl-2,2',2'',3,3',3'',8,8',8'',8a,8a',8a''-dodecahydro-1H,1'H,1''H-3a,3a':7',3a''-terpyrrolo[2,3-b]indol [German] [ACD/IUPAC Name]
1,1',1''-Trimethyl-2,2',2'',3,3',3'',8,8',8'',8a,8a',8a''-dodecahydro-1H,1'H,1''H-3a,3a':7',3a''-terpyrrolo[2,3-b]indole [ACD/IUPAC Name]
1,1',1''-Triméthyl-2,2',2'',3,3',3'',8,8',8'',8a,8a',8a''-dodécahydro-1H,1'H,1''H-3a,3a':7',3a''-terpyrrolo[2,3-b]indole [French] [ACD/IUPAC Name]
3a,3'a(1H,1'H):7',3''a(1''H)-Terpyrrolo[2,3-b]indole, 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl- [ACD/Index Name]
Stereoisomer of 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl-3a,3'a(1H,1'H):7',3''a(1''H)-terpyrrolo[2,3-b]indole

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.32
Polar Surface Area: 46 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 412.2±3.0 cm3

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