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

C134H152N4+4 — CID 160761365

IUPAC4-(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
SMILESCc1ccccc1-c1cc(-c2ccc3cc(C(C)(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C
InChIInChI=1S/C35H40N.C34H38N.C33H38N.C32H36N/c1-25-11-9-10-16-32(25)35-23-33(34(24-36(35)2)27-14-7-4-8-15-27)31-20-19-29-21-28(17-18-30(29)22-31)26-12-5-3-6-13-26;1-24-10-6-9-15-31(24)34-22-32(33(23-35(34)2)26-13-4-3-5-14-26)30-19-18-28-20-27(16-17-29(28)21-30)25-11-7-8-12-25;1-23-11-9-10-14-29(23)32-21-30(31(22-34(32)5)24-12-7-6-8-13-24)27-16-15-26-20-28(33(2,3)4)18-17-25(26)19-27;1-22(2)25-14-15-27-19-28(17-16-26(27)18-25)30-20-32(29-13-9-8-10-23(29)3)33(4)21-31(30)24-11-6-5-7-12-24/h9-11,16-24,26-27H,3-8,12-15H2,1-2H3;6,9-10,15-23,25-26H,3-5,7-8,11-14H2,1-2H3;9-11,14-22,24H,6-8,12-13H2,1-5H3;8-10,13-22,24H,5-7,11-12H2,1-4H3/q4*+1
InChIKeyFYNNFHQWKAKGGS-UHFFFAOYSA-N
MW1818.72 g/mol
LogP35.54
Rot. Bonds15

About 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

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 (PubChem CID 160761365) has the molecular formula C134H152N4+4 and a molecular weight of 1818.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID160761365
Molecular FormulaC134H152N4+4
Molecular Weight1818.72 g/mol
Exact Mass1817.20
IUPAC Name4-(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
SMILESCc1ccccc1-c1cc(-c2ccc3cc(C(C)(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C
InChIInChI=1S/C35H40N.C34H38N.C33H38N.C32H36N/c1-25-11-9-10-16-32(25)35-23-33(34(24-36(35)2)27-14-7-4-8-15-27)31-20-19-29-21-28(17-18-30(29)22-31)26-12-5-3-6-13-26;1-24-10-6-9-15-31(24)34-22-32(33(23-35(34)2)26-13-4-3-5-14-26)30-19-18-28-20-27(16-17-29(28)21-30)25-11-7-8-12-25;1-23-11-9-10-14-29(23)32-21-30(31(22-34(32)5)24-12-7-6-8-13-24)27-16-15-26-20-28(33(2,3)4)18-17-25(26)19-27;1-22(2)25-14-15-27-19-28(17-16-26(27)18-25)30-20-32(29-13-9-8-10-23(29)3)33(4)21-31(30)24-11-6-5-7-12-24/h9-11,16-24,26-27H,3-8,12-15H2,1-2H3;6,9-10,15-23,25-26H,3-5,7-8,11-14H2,1-2H3;9-11,14-22,24H,6-8,12-13H2,1-5H3;8-10,13-22,24H,5-7,11-12H2,1-4H3/q4*+1
InChIKeyFYNNFHQWKAKGGS-UHFFFAOYSA-N
XLogP35.54
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001818.72
LogP ≤ 535.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-cyclohexyl-4-(6-cyclohexylnaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830013
5-cyclohexyl-4-[6-(4-cyclopentylphenyl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829935
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
4-(6-cyclohexylnaphthalen-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829936
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829940
5-(1-deuteriocyclohexyl)-4-[6-(2-deuteriopropan-2-yl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830101
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830081
5-cyclohexyl-4-(7-cyclohexyldibenzothiophen-3-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830106
4-[6-(4-cyclopentylcyclohexyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830022
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-(2-deuteriopropan-2-yl)-4-[6-(2-deuteriopropan-2-yl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830156
5-(1-deuteriocyclohexyl)-1-methyl-2-(2-methylphenyl)-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridin-1-ium
CID 140830158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1-c1cc(-c2ccc3cc(C(C)(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C(C)C)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C.Cc1ccccc1-c1cc(-c2ccc3cc(C4CCCCC4)ccc3c2)c(C2CCCCC2)c[n+]1C.
What is the InChIKey of 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?
The InChIKey is FYNNFHQWKAKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N.C34H38N.C33H38N.C32H36N/c1-25-11-9-10-16-32(25)35-23-33(34(24-36(35)2)27-14-7-4-8-15-27)31-20-19-29-21-28(17-18-30(29)22-31)26-12-5-3-6-13-26;1-24-10-6-9-15-31(24)34-22-32(33(23-35(34)2)26-13-4-3-5-14-26)30-19-18-28-20-27(16-17-29(28)21-30)25-11-7-8-12-25;1-23-11-9-10-14-29(23)32-21-30(31(22-34(32)5)24-12-7-6-8-13-24)27-16-15-26-20-28(33(2,3)4)18-17-25(26)19-27;1-22(2)25-14-15-27-19-28(17-16-26(27)18-25)30-20-32(29-13-9-8-10-23(29)3)33(4)21-31(30)24-11-6-5-7-12-24/h9-11,16-24,26-27H,3-8,12-15H2,1-2H3;6,9-10,15-23,25-26H,3-5,7-8,11-14H2,1-2H3;9-11,14-22,24H,6-8,12-13H2,1-5H3;8-10,13-22,24H,5-7,11-12H2,1-4H3/q4*+1.
What are the key properties of 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?
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 has a molecular weight of 1818.72 g/mol, XLogP of 35.54, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160761365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).