6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane

C38H66N2 — CID 90704834

IUPAC6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane
SMILESCC1CCC2C(C1)C1C3CCCCC3C(CC3C4CCCCC4C4C5CC(C)CCC5N(C)C34)C1N2C.CCC
InChIInChI=1S/C35H58N2.C3H8/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33;1-3-2/h20-35H,5-19H2,1-4H3;3H2,1-2H3
InChIKeyLMJKKDWQUFCDKZ-UHFFFAOYSA-N
MW550.96 g/mol
LogP9.14
Rot. Bonds2

About 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane

6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane (PubChem CID 90704834) has the molecular formula C38H66N2 and a molecular weight of 550.96 g/mol. Its IUPAC name is 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane.

Molecular Properties

Compound Name6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane
PubChem CID90704834
Molecular FormulaC38H66N2
Molecular Weight550.96 g/mol
Exact Mass550.52
IUPAC Name6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane
SMILESCC1CCC2C(C1)C1C3CCCCC3C(CC3C4CCCCC4C4C5CC(C)CCC5N(C)C34)C1N2C.CCC
InChIInChI=1S/C35H58N2.C3H8/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33;1-3-2/h20-35H,5-19H2,1-4H3;3H2,1-2H3
InChIKeyLMJKKDWQUFCDKZ-UHFFFAOYSA-N
XLogP9.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.96
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,6-trimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
CID 147468172
5,8,10-trimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 149417686
cyclopentyl-[(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)methyl]-dimethylsilane
CID 59106104
carbanide;cyclopentyl-(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilane;dichlorozirconium(2+)
CID 162298567
(2,6-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)-trimethylsilane
CID 162697767
(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
CID 59164897
cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 156623942
CID 166504670
CID 166504670
[5-(cyclohexylmethyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-cyclopentyl-dimethylsilane
CID 59164899
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
7-methylbicyclo[4.1.0]heptane;propane
CID 143683188
5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane?
The IUPAC name of 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane (CID 90704834) is 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane.
What is the SMILES notation for 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane?
The canonical SMILES for 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane is CC1CCC2C(C1)C1C3CCCCC3C(CC3C4CCCCC4C4C5CC(C)CCC5N(C)C34)C1N2C.CCC.
What is the InChIKey of 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane?
The InChIKey is LMJKKDWQUFCDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58N2.C3H8/c1-20-13-15-30-28(17-20)32-24-11-7-5-9-22(24)26(34(32)36(30)3)19-27-23-10-6-8-12-25(23)33-29-18-21(2)14-16-31(29)37(4)35(27)33;1-3-2/h20-35H,5-19H2,1-4H3;3H2,1-2H3.
What are the key properties of 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane?
6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane has a molecular weight of 550.96 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,3-b]indol-6-yl)methyl]-2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole;propane is sourced from PubChem (CID 90704834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).