1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

C109H106N4+4 — CID 158069379

About 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium

1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (PubChem CID 158069379) has the molecular formula C109H106N4+4 and a molecular weight of 1472.07 g/mol. Its IUPAC name is 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• PubChem CID: 158069379
• Molecular Formula: C109H106N4+4
• Molecular Weight: 1472.07 g/mol
• Exact Mass: 1470.84
• IUPAC Name: 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1-c1c(C)cccc1C.Cc1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1-c1ccccc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)ccc3C)[n+](C)cc2C)c(C)c1.Cc1ccccc1-c1cc(-c2cc(-c3ccccc3)ccc2C)[n+](C)cc1C
• InChI: InChI=1S/2C28H28N.C27H26N.C26H24N/c1-19-14-15-24(23-12-7-6-8-13-23)16-25(19)27-17-26(22(4)18-29(27)5)28-20(2)10-9-11-21(28)3;1-19-11-14-25(21(3)15-19)26-17-28(29(5)18-22(26)4)27-16-24(13-12-20(27)2)23-9-7-6-8-10-23;1-19-10-8-9-13-24(19)25-17-27(28(4)18-21(25)3)26-16-23(15-14-20(26)2)22-11-6-5-7-12-22;1-19-14-15-23(21-10-6-4-7-11-21)16-25(19)26-17-24(20(2)18-27(26)3)22-12-8-5-9-13-22/h2*6-18H,1-5H3;5-18H,1-4H3;4-18H,1-3H3/q4*+1
• InChIKey: UVJZWUHMTBOAQI-UHFFFAOYSA-N
• XLogP: 26.06
• TPSA: 15.52 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1472.07
LogP ≤ 5	26.06
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 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The IUPAC name of 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium (CID 158069379) is 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium.

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

The canonical SMILES for 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is Cc1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1-c1c(C)cccc1C.Cc1c[n+](C)c(-c2cc(-c3ccccc3)ccc2C)cc1-c1ccccc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)ccc3C)[n+](C)cc2C)c(C)c1.Cc1ccccc1-c1cc(-c2cc(-c3ccccc3)ccc2C)[n+](C)cc1C.

What is the InChIKey of 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium?

The InChIKey is UVJZWUHMTBOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N.C27H26N.C26H24N/c1-19-14-15-24(23-12-7-6-8-13-23)16-25(19)27-17-26(22(4)18-29(27)5)28-20(2)10-9-11-21(28)3;1-19-11-14-25(21(3)15-19)26-17-28(29(5)18-22(26)4)27-16-24(13-12-20(27)2)23-9-7-6-8-10-23;1-19-10-8-9-13-24(19)25-17-27(28(4)18-21(25)3)26-16-23(15-14-20(26)2)22-11-6-5-7-12-22;1-19-14-15-23(21-10-6-4-7-11-21)16-25(19)26-17-24(20(2)18-27(26)3)22-12-8-5-9-13-22/h2*6-18H,1-5H3;5-18H,1-4H3;4-18H,1-3H3/q4*+1.

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

1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium has a molecular weight of 1472.07 g/mol, XLogP of 26.06, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-4-(2-methylphenyl)-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methyl-5-phenylphenyl)-4-phenylpyridin-1-ium;4-(2,4-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;4-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 158069379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).