1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium

C119H118N4+4 — CID 158421974

About 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium

1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium (PubChem CID 158421974) has the molecular formula C119H118N4+4 and a molecular weight of 1604.28 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
• PubChem CID: 158421974
• Molecular Formula: C119H118N4+4
• Molecular Weight: 1604.28 g/mol
• Exact Mass: 1602.93
• IUPAC Name: 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
• SMILES: Cc1cc[n+](C)c(-c2cccc(-c3ccc(-c4ccccc4)cc3C)c2C)c1.Cc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4C)c3C)[n+](C)cc2C)c(C)c1.Cc1ccc(-c2ccc(-c3cccc(-c4cccc[n+]4C)c3C)c(C)c2)cc1.Cc1ccc(-c2cccc(-c3cc(-c4c(C)cccc4C)c(C)c[n+]3C)c2C)c(C)c1
• InChI: InChI=1S/C35H34N.C30H32N.2C27H26N/c1-23-15-17-31(24(2)19-23)34-21-35(36(6)22-26(34)4)33-14-10-13-32(27(33)5)30-18-16-29(20-25(30)3)28-11-8-7-9-12-28;1-19-14-15-25(22(4)16-19)26-12-9-13-27(24(26)6)29-17-28(23(5)18-31(29)7)30-20(2)10-8-11-21(30)3;1-19-11-13-22(14-12-19)23-15-16-24(20(2)18-23)25-8-7-9-26(21(25)3)27-10-5-6-17-28(27)4;1-19-15-16-28(4)27(17-19)26-12-8-11-25(21(26)3)24-14-13-23(18-20(24)2)22-9-6-5-7-10-22/h7-22H,1-6H3;8-18H,1-7H3;2*5-18H,1-4H3/q4*+1
• InChIKey: GWWBRVGNUIVRPQ-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 15.52 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1604.28
LogP ≤ 5	28.96
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 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium?

The IUPAC name of 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium (CID 158421974) is 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium.

What is the SMILES notation for 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium?

The canonical SMILES for 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium is Cc1cc[n+](C)c(-c2cccc(-c3ccc(-c4ccccc4)cc3C)c2C)c1.Cc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4C)c3C)[n+](C)cc2C)c(C)c1.Cc1ccc(-c2ccc(-c3cccc(-c4cccc[n+]4C)c3C)c(C)c2)cc1.Cc1ccc(-c2cccc(-c3cc(-c4c(C)cccc4C)c(C)c[n+]3C)c2C)c(C)c1.

What is the InChIKey of 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium?

The InChIKey is GWWBRVGNUIVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N.C30H32N.2C27H26N/c1-23-15-17-31(24(2)19-23)34-21-35(36(6)22-26(34)4)33-14-10-13-32(27(33)5)30-18-16-29(20-25(30)3)28-11-8-7-9-12-28;1-19-14-15-25(22(4)16-19)26-12-9-13-27(24(26)6)29-17-28(23(5)18-31(29)7)30-20(2)10-8-11-21(30)3;1-19-11-13-22(14-12-19)23-15-16-24(20(2)18-23)25-8-7-9-26(21(25)3)27-10-5-6-17-28(27)4;1-19-15-16-28(4)27(17-19)26-12-8-11-25(21(26)3)24-14-13-23(18-20(24)2)22-9-6-5-7-10-22/h7-22H,1-6H3;8-18H,1-7H3;2*5-18H,1-4H3/q4*+1.

What are the key properties of 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium?

1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium has a molecular weight of 1604.28 g/mol, XLogP of 28.96, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-[2-methyl-3-(2-methyl-4-phenylphenyl)phenyl]pyridin-1-ium;4-(2,6-dimethylphenyl)-2-[3-(2,4-dimethylphenyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;1-methyl-2-[2-methyl-3-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium is sourced from PubChem (CID 158421974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).