1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C32H54S — CID 58897796

IUPAC1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2C(SC3CCCC4C3CC(C)C4C3CCCCC3)CCCC2C1C1CCCCC1
InChIInChI=1S/C32H54S/c1-21-19-27-25(31(21)23-11-5-3-6-12-23)15-9-17-29(27)33-30-18-10-16-26-28(30)20-22(2)32(26)24-13-7-4-8-14-24/h21-32H,3-20H2,1-2H3
InChIKeySZFFLGHRHXXHNB-UHFFFAOYSA-N
MW470.85 g/mol
LogP9.76
Rot. Bonds4

About 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 58897796) has the molecular formula C32H54S and a molecular weight of 470.85 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID58897796
Molecular FormulaC32H54S
Molecular Weight470.85 g/mol
Exact Mass470.39
IUPAC Name1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2C(SC3CCCC4C3CC(C)C4C3CCCCC3)CCCC2C1C1CCCCC1
InChIInChI=1S/C32H54S/c1-21-19-27-25(31(21)23-11-5-3-6-12-23)15-9-17-29(27)33-30-18-10-16-26-28(30)20-22(2)32(26)24-13-7-4-8-14-24/h21-32H,3-20H2,1-2H3
InChIKeySZFFLGHRHXXHNB-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.85
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene 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

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7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
CID 91488372
(2-methylcyclopropyl)cyclooctane
CID 19768877
1,6,12,17-tetramethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 54386757
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 164599475
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
3-(5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 143370025
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 58897796) is 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC2C(SC3CCCC4C3CC(C)C4C3CCCCC3)CCCC2C1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is SZFFLGHRHXXHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54S/c1-21-19-27-25(31(21)23-11-5-3-6-12-23)15-9-17-29(27)33-30-18-10-16-26-28(30)20-22(2)32(26)24-13-7-4-8-14-24/h21-32H,3-20H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 470.85 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(1-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)sulfanyl]-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 58897796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).