7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine

C94H104N8+4 — CID 159398197

About 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine

7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine (PubChem CID 159398197) has the molecular formula C94H104N8+4 and a molecular weight of 1351.96 g/mol. Its IUPAC name is 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine.

Molecular Properties

• Compound Name: 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
• PubChem CID: 159398197
• Molecular Formula: C94H104N8+4
• Molecular Weight: 1351.96 g/mol
• Exact Mass: 1350.87
• IUPAC Name: 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
• SMILES: CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)[n+](C)c1
• InChI: InChI=1S/2C24H27N2.2C23H25N2/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;1-7-17-10-11-26(6)22(13-17)19-14-21-20(12-15(19)2)18-9-8-16(3)25-23(18)24(21,4)5;1-14-7-10-21(25(6)13-14)18-12-20-19(11-15(18)2)17-9-8-16(3)24-22(17)23(20,4)5;1-14-9-10-25(6)21(11-14)18-13-20-19(12-15(18)2)17-8-7-16(3)24-22(17)23(20,4)5/h8-13H,1-7H3;8-14H,7H2,1-6H3;2*7-13H,1-6H3/q4*+1/i3D3;;1D3
• InChIKey: XDQYXTBRZQZQHX-OYHUONHVSA-N
• XLogP: 19.78
• TPSA: 67.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.96
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine?

The IUPAC name of 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine (CID 159398197) is 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine.

What is the SMILES notation for 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine?

The canonical SMILES for 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine is CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)c1.[2H]C([2H])([2H])c1c[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)cc1C.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)-c2ccc(C)nc2C3(C)C)[n+](C)c1.

What is the InChIKey of 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine?

The InChIKey is XDQYXTBRZQZQHX-OYHUONHVSA-N. The full InChI is InChI=1S/2C24H27N2.2C23H25N2/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;1-7-17-10-11-26(6)22(13-17)19-14-21-20(12-15(19)2)18-9-8-16(3)25-23(18)24(21,4)5;1-14-7-10-21(25(6)13-14)18-12-20-19(11-15(18)2)17-9-8-16(3)24-22(17)23(20,4)5;1-14-9-10-25(6)21(11-14)18-13-20-19(12-15(18)2)17-8-7-16(3)24-22(17)23(20,4)5/h8-13H,1-7H3;8-14H,7H2,1-6H3;2*7-13H,1-6H3/q4*+1/i3D3;;1D3;.

What are the key properties of 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine?

7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine has a molecular weight of 1351.96 g/mol, XLogP of 19.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-dimethylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-[1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;7-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,6,9,9-tetramethylindeno[2,1-b]pyridine;2,6,9,9-tetramethyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine is sourced from PubChem (CID 159398197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).