1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

C231H311N22O6+9 — CID 163611350

About 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine

1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 163611350) has the molecular formula C231H311N22O6+9 and a molecular weight of 3492.18 g/mol. Its IUPAC name is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 163611350
• Molecular Formula: C231H311N22O6+9
• Molecular Weight: 3492.18 g/mol
• Exact Mass: 3489.47
• IUPAC Name: 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ncncn2)cc[n+]1C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C24H19N2O.C23H18N3O.C21H16N5O.C21H19N2.3C18H15N2O.C17H15N2.C17H17N2.27C2H6/c1-16-10-11-19-20-9-6-13-25-24(20)27-23(19)22(16)21-15-18(12-14-26(21)2)17-7-4-3-5-8-17;1-15-8-9-17-18-6-5-12-25-23(18)27-22(17)21(15)20-14-16(10-13-26(20)2)19-7-3-4-11-24-19;1-13-5-6-15-16-4-3-8-23-21(16)27-19(15)18(13)17-10-14(7-9-26(17)2)20-24-11-22-12-25-20;1-16-10-6-7-13-18(16)21-22(2)19-14-8-9-15-20(19)23(21)17-11-4-3-5-12-17;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;1-12-6-5-8-14-13-7-3-4-9-15(13)19-11-10-18(2)17(19)16(12)14;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;27*1-2/h3-15H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-15H,1-2H3;3*3-11H,1-2H3;3-11H,1-2H3;3-13H,1-2H3;27*1-2H3/q9*+1
• InChIKey: PIAGXWOKOQPILT-UHFFFAOYSA-N
• XLogP: 64.06
• TPSA: 256.93 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3492.18
LogP ≤ 5	64.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 163611350) is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ccccc2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(-c2ncncn2)cc[n+]1C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C.

What is the InChIKey of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is PIAGXWOKOQPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2O.C23H18N3O.C21H16N5O.C21H19N2.3C18H15N2O.C17H15N2.C17H17N2.27C2H6/c1-16-10-11-19-20-9-6-13-25-24(20)27-23(19)22(16)21-15-18(12-14-26(21)2)17-7-4-3-5-8-17;1-15-8-9-17-18-6-5-12-25-23(18)27-22(17)21(15)20-14-16(10-13-26(20)2)19-7-3-4-11-24-19;1-13-5-6-15-16-4-3-8-23-21(16)27-19(15)18(13)17-10-14(7-9-26(17)2)20-24-11-22-12-25-20;1-16-10-6-7-13-18(16)21-22(2)19-14-8-9-15-20(19)23(21)17-11-4-3-5-12-17;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;1-12-6-5-8-14-13-7-3-4-9-15(13)19-11-10-18(2)17(19)16(12)14;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;27*1-2/h3-15H,1-2H3;3-14H,1-2H3;3-12H,1-2H3;3-15H,1-2H3;3*3-11H,1-2H3;3-11H,1-2H3;3-13H,1-2H3;27*1-2H3/q9*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine?

1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 3492.18 g/mol, XLogP of 64.06, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-8-(1-methyl-4-phenylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-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;7-methyl-8-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(1,3,5-triazin-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).