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

C36H36N+ — CID 140830081

IUPAC4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(-c3ccc(C4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C36H36N/c1-25-9-7-8-12-34(25)36-23-35(26(2)24-37(36)3)33-20-19-31-21-30(17-18-32(31)22-33)29-15-13-28(14-16-29)27-10-5-4-6-11-27/h7-9,12-24,27H,4-6,10-11H2,1-3H3/q+1
InChIKeyJPSAZEYYTOQIFW-UHFFFAOYSA-N
MW482.69 g/mol
LogP9.33
Rot. Bonds4

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

4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 140830081) has the molecular formula C36H36N+ and a molecular weight of 482.69 g/mol. Its IUPAC name is 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID140830081
Molecular FormulaC36H36N+
Molecular Weight482.69 g/mol
Exact Mass482.28
IUPAC Name4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(-c3ccc(C4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C36H36N/c1-25-9-7-8-12-34(25)36-23-35(26(2)24-37(36)3)33-20-19-31-21-30(17-18-32(31)22-33)29-15-13-28(14-16-29)27-10-5-4-6-11-27/h7-9,12-24,27H,4-6,10-11H2,1-3H3/q+1
InChIKeyJPSAZEYYTOQIFW-UHFFFAOYSA-N
XLogP9.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(6-cyclohexylnaphthalen-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829936
5-cyclohexyl-4-[6-(4-cyclopentylphenyl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829935
4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830022
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
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
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-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159678541
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
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[3-(1-deuteriocyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 160511733
5-[4-(4-cyclopentylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777927
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-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 140830081) is 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2cc(-c3ccc(C4CCCCC4)cc3)ccc2c1.
What is the InChIKey of 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is JPSAZEYYTOQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N/c1-25-9-7-8-12-34(25)36-23-35(26(2)24-37(36)3)33-20-19-31-21-30(17-18-32(31)22-33)29-15-13-28(14-16-29)27-10-5-4-6-11-27/h7-9,12-24,27H,4-6,10-11H2,1-3H3/q+1.
What are the key properties of 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 482.69 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 140830081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).