4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

C35H40N+ — CID 140830022

IUPAC4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(C3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C35H40N/c1-24-8-4-7-11-33(24)35-22-34(25(2)23-36(35)3)32-19-18-30-20-29(16-17-31(30)21-32)28-14-12-27(13-15-28)26-9-5-6-10-26/h4,7-8,11,16-23,26-28H,5-6,9-10,12-15H2,1-3H3/q+1
InChIKeyANEPYUMGSQMJLO-UHFFFAOYSA-N
MW474.71 g/mol
LogP9.08
Rot. Bonds4

About 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 140830022) has the molecular formula C35H40N+ and a molecular weight of 474.71 g/mol. Its IUPAC name is 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID140830022
Molecular FormulaC35H40N+
Molecular Weight474.71 g/mol
Exact Mass474.32
IUPAC Name4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(C3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C35H40N/c1-24-8-4-7-11-33(24)35-22-34(25(2)23-36(35)3)32-19-18-30-20-29(16-17-31(30)21-32)28-14-12-27(13-15-28)26-9-5-6-10-26/h4,7-8,11,16-23,26-28H,5-6,9-10,12-15H2,1-3H3/q+1
InChIKeyANEPYUMGSQMJLO-UHFFFAOYSA-N
XLogP9.08
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.71
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium with MolForge

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Related Compounds

4-(6-cyclohexylnaphthalen-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829936
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830081
5-cyclohexyl-4-(6-cyclohexylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830013
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829940
4-[6-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)naphthalen-2-yl]-5-cyclohexyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830105
5-cyclohexyl-4-[6-(4-cyclopentylphenyl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829935
5-[4-(4-cyclopentylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777927
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-[4-(3-cyclopentylcyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777940
4-(6-tert-butylnaphthalen-2-yl)-5-cyclohexyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-4-(6-cyclohexylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-4-(6-cyclopentylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclohexyl-1-methyl-2-(2-methylphenyl)-4-(6-propan-2-ylnaphthalen-2-yl)pyridin-1-ium
CID 160761365
4-[6-(4-cyclohexyl-1-deuteriocyclohexyl)naphthalen-2-yl]-5-(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[6-(2-deuterio-2-bicyclo[2.2.1]heptanyl)naphthalen-2-yl]-5-(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[6-(3-deuterio-3-bicyclo[3.1.1]heptanyl)naphthalen-2-yl]-5-(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 157192375
5-cyclohexyl-4-(7-cyclohexyldibenzothiophen-3-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830106

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 140830022) is 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(C3CCC(C4CCCC4)CC3)ccc2c1.
What is the InChIKey of 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is ANEPYUMGSQMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N/c1-24-8-4-7-11-33(24)35-22-34(25(2)23-36(35)3)32-19-18-30-20-29(16-17-31(30)21-32)28-14-12-27(13-15-28)26-9-5-6-10-26/h4,7-8,11,16-23,26-28H,5-6,9-10,12-15H2,1-3H3/q+1.
What are the key properties of 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 474.71 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 140830022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).