4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium

C137H156N5+5 — CID 161461602

About 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium

4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium (PubChem CID 161461602) has the molecular formula C137H156N5+5 and a molecular weight of 1881.84 g/mol. Its IUPAC name is 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium
• PubChem CID: 161461602
• Molecular Formula: C137H156N5+5
• Molecular Weight: 1881.84 g/mol
• Exact Mass: 1880.29
• IUPAC Name: 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium
• SMILES: Cc1ccccc1-c1cc(-c2ccc(C3CCC4(CCCC4)CC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CCC(C)(C)CC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CCC4(CCCCC4)CC3)cc2)cc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1cc(C)c(C)c(C([2H])([2H])[2H])c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C31H38N.C29H34N.C28H34N.C26H24N.C23H26N/c1-24-8-4-5-9-29(24)30-23-28(16-21-32(30)2)27-12-10-25(11-13-27)22-26-14-19-31(20-15-26)17-6-3-7-18-31;1-22-7-3-4-8-27(22)28-21-26(15-20-30(28)2)24-11-9-23(10-12-24)25-13-18-29(19-14-25)16-5-6-17-29;1-21-7-5-6-8-26(21)27-20-25(15-18-29(27)4)24-11-9-22(10-12-24)19-23-13-16-28(2,3)17-14-23;1-19-9-7-8-12-24(19)26-17-25(20(2)18-27(26)3)23-15-13-22(14-16-23)21-10-5-4-6-11-21;1-15-9-7-8-10-21(15)23-13-22(18(4)14-24(23)6)20-11-16(2)19(5)17(3)12-20/h4-5,8-13,16,21,23,26H,3,6-7,14-15,17-20,22H2,1-2H3;3-4,7-12,15,20-21,25H,5-6,13-14,16-19H2,1-2H3;5-12,15,18,20,23H,13-14,16-17,19H2,1-4H3;4-18H,1-3H3;7-14H,1-6H3/q5*+1/i;;;2D3;2D3,4D3
• InChIKey: IEERSOPMCSCUPM-LHNIKUSZSA-N
• XLogP: 33.64
• TPSA: 19.40 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1881.84
LogP ≤ 5	33.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium?

The IUPAC name of 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium (CID 161461602) is 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium.

What is the SMILES notation for 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium?

The canonical SMILES for 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium is Cc1ccccc1-c1cc(-c2ccc(C3CCC4(CCCC4)CC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CCC(C)(C)CC3)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CCC4(CCCCC4)CC3)cc2)cc[n+]1C.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1cc(C)c(C)c(C([2H])([2H])[2H])c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2ccccc2C)cc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium?

The InChIKey is IEERSOPMCSCUPM-LHNIKUSZSA-N. The full InChI is InChI=1S/C31H38N.C29H34N.C28H34N.C26H24N.C23H26N/c1-24-8-4-5-9-29(24)30-23-28(16-21-32(30)2)27-12-10-25(11-13-27)22-26-14-19-31(20-15-26)17-6-3-7-18-31;1-22-7-3-4-8-27(22)28-21-26(15-20-30(28)2)24-11-9-23(10-12-24)25-13-18-29(19-14-25)16-5-6-17-29;1-21-7-5-6-8-26(21)27-20-25(15-18-29(27)4)24-11-9-22(10-12-24)19-23-13-16-28(2,3)17-14-23;1-19-9-7-8-12-24(19)26-17-25(20(2)18-27(26)3)23-15-13-22(14-16-23)21-10-5-4-6-11-21;1-15-9-7-8-10-21(15)23-13-22(18(4)14-24(23)6)20-11-16(2)19(5)17(3)12-20/h4-5,8-13,16,21,23,26H,3,6-7,14-15,17-20,22H2,1-2H3;3-4,7-12,15,20-21,25H,5-6,13-14,16-19H2,1-2H3;5-12,15,18,20,23H,13-14,16-17,19H2,1-4H3;4-18H,1-3H3;7-14H,1-6H3/q5*+1/i;;;2D3;2D3,4D3.

What are the key properties of 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium?

4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium has a molecular weight of 1881.84 g/mol, XLogP of 33.64, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(4,4-dimethylcyclohexyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3,4-dimethyl-5-(trideuteriomethyl)phenyl]-1-methyl-2-(2-methylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[4.5]decan-8-ylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-(spiro[5.5]undecan-3-ylmethyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 161461602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).