4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium

C134H124N5O5+5 — CID 158977959

About 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium

4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium (PubChem CID 158977959) has the molecular formula C134H124N5O5+5 and a molecular weight of 1884.50 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium.

Molecular Properties

• Compound Name: 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium
• PubChem CID: 158977959
• Molecular Formula: C134H124N5O5+5
• Molecular Weight: 1884.50 g/mol
• Exact Mass: 1882.96
• IUPAC Name: 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium
• SMILES: Cc1ccc(-c2c(C)ccc3c2oc2cc4ccccc4cc23)[n+](C)c1.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C(C)(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C2CCCCC2)cc[n+]1C
• InChI: InChI=1S/C29H28NO.C28H26NO.C27H26NO.C26H24NO.C24H20NO/c1-19-12-13-24-25-16-21-10-6-7-11-22(21)18-27(25)31-29(24)28(19)26-17-23(14-15-30(26)2)20-8-4-3-5-9-20;1-18-11-12-23-24-15-20-9-5-6-10-21(20)17-26(24)30-28(23)27(18)25-16-22(13-14-29(25)2)19-7-3-4-8-19;1-17-10-11-21-22-14-18-8-6-7-9-19(18)15-24(22)29-26(21)25(17)23-16-20(27(2,3)4)12-13-28(23)5;1-16(2)18-11-12-27(4)23(14-18)25-17(3)9-10-21-22-13-19-7-5-6-8-20(19)15-24(22)28-26(21)25;1-15-8-11-21(25(3)14-15)23-16(2)9-10-19-20-12-17-6-4-5-7-18(17)13-22(20)26-24(19)23/h6-7,10-18,20H,3-5,8-9H2,1-2H3;5-6,9-17,19H,3-4,7-8H2,1-2H3;6-16H,1-5H3;5-16H,1-4H3;4-14H,1-3H3/q5*+1
• InChIKey: ROKGBHIIFBRTGA-UHFFFAOYSA-N
• XLogP: 34.13
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1884.50
LogP ≤ 5	34.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium?

The IUPAC name of 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium (CID 158977959) is 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium.

What is the SMILES notation for 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium?

The canonical SMILES for 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium is Cc1ccc(-c2c(C)ccc3c2oc2cc4ccccc4cc23)[n+](C)c1.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C(C)(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C2CCCC2)cc[n+]1C.Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cc(C2CCCCC2)cc[n+]1C.

What is the InChIKey of 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium?

The InChIKey is ROKGBHIIFBRTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28NO.C28H26NO.C27H26NO.C26H24NO.C24H20NO/c1-19-12-13-24-25-16-21-10-6-7-11-22(21)18-27(25)31-29(24)28(19)26-17-23(14-15-30(26)2)20-8-4-3-5-9-20;1-18-11-12-23-24-15-20-9-5-6-10-21(20)17-26(24)30-28(23)27(18)25-16-22(13-14-29(25)2)19-7-3-4-8-19;1-17-10-11-21-22-14-18-8-6-7-9-19(18)15-24(22)29-26(21)25(17)23-16-20(27(2,3)4)12-13-28(23)5;1-16(2)18-11-12-27(4)23(14-18)25-17(3)9-10-21-22-13-19-7-5-6-8-20(19)15-24(22)28-26(21)25;1-15-8-11-21(25(3)14-15)23-16(2)9-10-19-20-12-17-6-4-5-7-18(17)13-22(20)26-24(19)23/h6-7,10-18,20H,3-5,8-9H2,1-2H3;5-6,9-17,19H,3-4,7-8H2,1-2H3;6-16H,1-5H3;5-16H,1-4H3;4-14H,1-3H3/q5*+1.

What are the key properties of 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium?

4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium has a molecular weight of 1884.50 g/mol, XLogP of 34.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclohexyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;4-cyclopentyl-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 158977959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).