ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine

C153H192N11O5+7 — CID 161305617

About ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine

ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 161305617) has the molecular formula C153H192N11O5+7 and a molecular weight of 2265.29 g/mol. Its IUPAC name is ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 161305617
• Molecular Formula: C153H192N11O5+7
• Molecular Weight: 2265.29 g/mol
• Exact Mass: 2263.51
• IUPAC Name: ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cc3ccccc3c[n+]2C)ccc2ccccc12.Cc1ccc2c(oc3ccccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C.Cc1ccccc1-c1cccc[n+]1C
• InChI: InChI=1S/C21H18N.C19H16NO.4C18H15N2O.C13H14N.14C2H6/c1-15-19-10-6-5-7-16(19)11-12-20(15)21-13-17-8-3-4-9-18(17)14-22(21)2;1-13-10-11-15-14-7-3-4-9-17(14)21-19(15)18(13)16-8-5-6-12-20(16)2;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2;1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-12-6-7-14-13-8-9-19-11-16(13)21-18(14)17(12)15-5-3-4-10-20(15)2;1-12-6-7-13-14-11-19-9-8-16(14)21-18(13)17(12)15-5-3-4-10-20(15)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;14*1-2/h3-14H,1-2H3;3-12H,1-2H3;4*3-11H,1-2H3;3-10H,1-2H3;14*1-2H3/q7*+1
• InChIKey: NNYKUJJQQXJCIG-UHFFFAOYSA-N
• XLogP: 41.16
• TPSA: 144.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2265.29
LogP ≤ 5	41.16
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 ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 161305617) is ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cc3ccccc3c[n+]2C)ccc2ccccc12.Cc1ccc2c(oc3ccccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C.Cc1ccccc1-c1cccc[n+]1C.

What is the InChIKey of ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

The InChIKey is NNYKUJJQQXJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N.C19H16NO.4C18H15N2O.C13H14N.14C2H6/c1-15-19-10-6-5-7-16(19)11-12-20(15)21-13-17-8-3-4-9-18(17)14-22(21)2;1-13-10-11-15-14-7-3-4-9-17(14)21-19(15)18(13)16-8-5-6-12-20(16)2;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2;1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-12-6-7-14-13-8-9-19-11-16(13)21-18(14)17(12)15-5-3-4-10-20(15)2;1-12-6-7-13-14-11-19-9-8-16(14)21-18(13)17(12)15-5-3-4-10-20(15)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;14*1-2/h3-14H,1-2H3;3-12H,1-2H3;4*3-11H,1-2H3;3-10H,1-2H3;14*1-2H3/q7*+1;;;;;;;;;;;;;;.

What are the key properties of ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine?

ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 2265.29 g/mol, XLogP of 41.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-3-(1-methylnaphthalen-2-yl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 161305617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).