1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline

C111H86N9O5+5 — CID 157274491

About 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline

1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline (PubChem CID 157274491) has the molecular formula C111H86N9O5+5 and a molecular weight of 1625.97 g/mol. Its IUPAC name is 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline.

Molecular Properties

• Compound Name: 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
• PubChem CID: 157274491
• Molecular Formula: C111H86N9O5+5
• Molecular Weight: 1625.97 g/mol
• Exact Mass: 1624.67
• IUPAC Name: 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
• SMILES: Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cccnc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ccncc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cnccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ncccc4c32)c1-c1cccc[n+]1C
• InChI: InChI=1S/C23H18NO.4C22H17N2O/c1-15-10-11-18-19-13-16-7-3-4-8-17(16)14-21(19)25-23(18)22(15)20-9-5-6-12-24(20)2;1-14-8-10-16-20-18(11-9-15-6-5-12-23-21(15)20)25-22(16)19(14)17-7-3-4-13-24(17)2;1-14-8-9-16-21-15-6-5-12-23-17(15)10-11-19(21)25-22(16)20(14)18-7-3-4-13-24(18)2;1-14-6-8-17-21-16-10-11-23-13-15(16)7-9-19(21)25-22(17)20(14)18-5-3-4-12-24(18)2;1-14-6-8-16-21-17-13-23-11-10-15(17)7-9-19(21)25-22(16)20(14)18-5-3-4-12-24(18)2/h3-14H,1-2H3;4*3-13H,1-2H3/q5*+1
• InChIKey: YARRAUQAJUHUSB-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 136.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.97
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline?

The IUPAC name of 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline (CID 157274491) is 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline.

What is the SMILES notation for 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline?

The canonical SMILES for 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline is Cc1ccc2c(oc3cc4ccccc4cc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cccnc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ccncc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cnccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ncccc4c32)c1-c1cccc[n+]1C.

What is the InChIKey of 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline?

The InChIKey is YARRAUQAJUHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NO.4C22H17N2O/c1-15-10-11-18-19-13-16-7-3-4-8-17(16)14-21(19)25-23(18)22(15)20-9-5-6-12-24(20)2;1-14-8-10-16-20-18(11-9-15-6-5-12-23-21(15)20)25-22(16)19(14)17-7-3-4-13-24(17)2;1-14-8-9-16-21-15-6-5-12-23-17(15)10-11-19(21)25-22(16)20(14)18-7-3-4-13-24(18)2;1-14-6-8-17-21-16-10-11-23-13-15(16)7-9-19(21)25-22(17)20(14)18-5-3-4-12-24(18)2;1-14-6-8-16-21-17-13-23-11-10-15(17)7-9-19(21)25-22(16)20(14)18-5-3-4-12-24(18)2/h3-14H,1-2H3;4*3-13H,1-2H3/q5*+1.

What are the key properties of 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline?

1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline has a molecular weight of 1625.97 g/mol, XLogP of 25.28, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline is sourced from PubChem (CID 157274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).