2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine

C24H27N2+ — CID 123306347

About 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine

2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (PubChem CID 123306347) has the molecular formula C24H27N2+ and a molecular weight of 343.49 g/mol. Its IUPAC name is 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.

Molecular Properties

• Compound Name: 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
• PubChem CID: 123306347
• Molecular Formula: C24H27N2+
• Molecular Weight: 343.49 g/mol
• Exact Mass: 343.22
• IUPAC Name: 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
• SMILES: Cc1ccc2c(n1)C(C)(C)c1cc(-c3cc(C)c(C)c[n+]3C)c(C)cc1-2
• InChI: InChI=1S/C24H27N2/c1-14-11-22(26(7)13-16(14)3)19-12-21-20(10-15(19)2)18-9-8-17(4)25-23(18)24(21,5)6/h8-13H,1-7H3/q+1
• InChIKey: TWRPVCJCMVZGLR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 16.77 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	343.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The IUPAC name of 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine (CID 123306347) is 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine.

What is the SMILES notation for 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The canonical SMILES for 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is Cc1ccc2c(n1)C(C)(C)c1cc(-c3cc(C)c(C)c[n+]3C)c(C)cc1-2.

What is the InChIKey of 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

The InChIKey is TWRPVCJCMVZGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N2/c1-14-11-22(26(7)13-16(14)3)19-12-21-20(10-15(19)2)18-9-8-17(4)25-23(18)24(21,5)6/h8-13H,1-7H3/q+1.

What are the key properties of 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine?

2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine has a molecular weight of 343.49 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 123306347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).