2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)

C85H83N6+3 — CID 157475041

About 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)

2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine) (PubChem CID 157475041) has the molecular formula C85H83N6+3 and a molecular weight of 1188.64 g/mol. Its IUPAC name is 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine).

Molecular Properties

• Compound Name: 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)
• PubChem CID: 157475041
• Molecular Formula: C85H83N6+3
• Molecular Weight: 1188.64 g/mol
• Exact Mass: 1187.67
• IUPAC Name: 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)
• SMILES: Cc1ccc(-c2ccc(-c3cc4c(cc3C)-c3ccc(C)nc3C4(C)C)[n+](C)c2)cc1.Cc1ccc2c(n1)C(C)(C)c1cc(-c3ccc(-c4ccccc4)c[n+]3C)c(C)cc1-2.Cc1ccc2c(n1)C(C)(C)c1cc(-c3ccc(-c4ccccc4)c[n+]3C)c(C)cc1-2
• InChI: InChI=1S/C29H29N2.2C28H27N2/c1-18-7-10-21(11-8-18)22-12-14-27(31(6)17-22)24-16-26-25(15-19(24)2)23-13-9-20(3)30-28(23)29(26,4)5;2*1-18-15-24-22-13-11-19(2)29-27(22)28(3,4)25(24)16-23(18)26-14-12-21(17-30(26)5)20-9-7-6-8-10-20/h7-17H,1-6H3;2*6-17H,1-5H3/q3*+1
• InChIKey: PXSZPFFNMGRCLU-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.64
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)?

The IUPAC name of 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine) (CID 157475041) is 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine).

What is the SMILES notation for 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)?

The canonical SMILES for 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine) is Cc1ccc(-c2ccc(-c3cc4c(cc3C)-c3ccc(C)nc3C4(C)C)[n+](C)c2)cc1.Cc1ccc2c(n1)C(C)(C)c1cc(-c3ccc(-c4ccccc4)c[n+]3C)c(C)cc1-2.Cc1ccc2c(n1)C(C)(C)c1cc(-c3ccc(-c4ccccc4)c[n+]3C)c(C)cc1-2.

What is the InChIKey of 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)?

The InChIKey is PXSZPFFNMGRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N2.2C28H27N2/c1-18-7-10-21(11-8-18)22-12-14-27(31(6)17-22)24-16-26-25(15-19(24)2)23-13-9-20(3)30-28(23)29(26,4)5;2*1-18-15-24-22-13-11-19(2)29-27(22)28(3,4)25(24)16-23(18)26-14-12-21(17-30(26)5)20-9-7-6-8-10-20/h7-17H,1-6H3;2*6-17H,1-5H3/q3*+1.

What are the key properties of 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)?

2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine) has a molecular weight of 1188.64 g/mol, XLogP of 18.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine) is sourced from PubChem (CID 157475041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).