1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium

C77H106N4+4 — CID 163580363

About 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium

1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium (PubChem CID 163580363) has the molecular formula C77H106N4+4 and a molecular weight of 1087.72 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium
• PubChem CID: 163580363
• Molecular Formula: C77H106N4+4
• Molecular Weight: 1087.72 g/mol
• Exact Mass: 1086.84
• IUPAC Name: 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1cc(-c2c(C)c(C)c(C)c[n+]2C)c(C)c(C)c1C.Cc1cc(-c2cc(C)c(C)c(C)[n+]2C)c(C)c(C)c1C.Cc1cc(C)c(-c2cc(C)c(C)c(C)[n+]2C)c(C)c1C
• InChI: InChI=1S/C20H28N.3C19H26N/c1-11-10-21(9)20(18(8)12(11)2)19-16(6)14(4)13(3)15(5)17(19)7;1-11-9-18(16(6)15(5)13(11)3)19-17(7)14(4)12(2)10-20(19)8;1-11-9-18(16(6)15(5)13(11)3)19-10-12(2)14(4)17(7)20(19)8;1-11-9-13(3)19(16(6)14(11)4)18-10-12(2)15(5)17(7)20(18)8/h10H,1-9H3;3*9-10H,1-8H3/q4*+1
• InChIKey: NWTHFICVJWGIIC-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 15.52 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.72
LogP ≤ 5	17.66
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 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium?

The IUPAC name of 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium (CID 163580363) is 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium?

The canonical SMILES for 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium is Cc1c[n+](C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1cc(-c2c(C)c(C)c(C)c[n+]2C)c(C)c(C)c1C.Cc1cc(-c2cc(C)c(C)c(C)[n+]2C)c(C)c(C)c1C.Cc1cc(C)c(-c2cc(C)c(C)c(C)[n+]2C)c(C)c1C.

What is the InChIKey of 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium?

The InChIKey is NWTHFICVJWGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N.3C19H26N/c1-11-10-21(9)20(18(8)12(11)2)19-16(6)14(4)13(3)15(5)17(19)7;1-11-9-18(16(6)15(5)13(11)3)19-17(7)14(4)12(2)10-20(19)8;1-11-9-18(16(6)15(5)13(11)3)19-10-12(2)14(4)17(7)20(19)8;1-11-9-13(3)19(16(6)14(11)4)18-10-12(2)15(5)17(7)20(18)8/h10H,1-9H3;3*9-10H,1-8H3/q4*+1.

What are the key properties of 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium?

1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium has a molecular weight of 1087.72 g/mol, XLogP of 17.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5-tetramethyl-2-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridin-1-ium;1,2,3,4-tetramethyl-6-(2,3,4,6-tetramethylphenyl)pyridin-1-ium;1,3,4,5-tetramethyl-2-(2,3,4,5-tetramethylphenyl)pyridin-1-ium is sourced from PubChem (CID 163580363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).