1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine

C131H173N15O4+6 — CID 158578027

About 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine

1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 158578027) has the molecular formula C131H173N15O4+6 and a molecular weight of 2021.93 g/mol. Its IUPAC name is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 158578027
• Molecular Formula: C131H173N15O4+6
• Molecular Weight: 2021.93 g/mol
• Exact Mass: 2020.38
• IUPAC Name: 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1ccnc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cncc[n+]1C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C
• InChI: InChI=1S/C18H15N2O.3C17H14N3O.C17H15N2.C17H17N2.14C2H6/c1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-11-7-8-12-16-14(6-4-9-18-16)21-17(12)15(11)13-5-3-10-19-20(13)2;1-11-5-6-12-16-14(4-3-8-19-16)21-17(12)15(11)13-7-9-18-10-20(13)2;1-11-5-6-12-16-14(4-3-7-19-16)21-17(12)15(11)13-10-18-8-9-20(13)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;14*1-2/h3-11H,1-2H3;3*3-10H,1-2H3;3-11H,1-2H3;3-13H,1-2H3;14*1-2H3/q6*+1
• InChIKey: KWZOENVGGGDWPK-UHFFFAOYSA-N
• XLogP: 34.33
• TPSA: 175.41 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.93
LogP ≤ 5	34.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine (CID 158578027) is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccn[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1ccnc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cncc[n+]1C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.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-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine?

The InChIKey is KWZOENVGGGDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O.3C17H14N3O.C17H15N2.C17H17N2.14C2H6/c1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-11-7-8-12-16-14(6-4-9-18-16)21-17(12)15(11)13-5-3-10-19-20(13)2;1-11-5-6-12-16-14(4-3-8-19-16)21-17(12)15(11)13-7-9-18-10-20(13)2;1-11-5-6-12-16-14(4-3-7-19-16)21-17(12)15(11)13-10-18-8-9-20(13)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;14*1-2/h3-11H,1-2H3;3*3-10H,1-2H3;3-11H,1-2H3;3-13H,1-2H3;14*1-2H3/q6*+1;;;;;;;;;;;;;;.

What are the key properties of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine?

1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 2021.93 g/mol, XLogP of 34.33, 6 rotatable bonds, 0 hydrogen bond donors, and 13 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-phenylimidazol-1-ium;7-methyl-6-(1-methylpyrazin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(2-methylpyridazin-2-ium-3-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(3-methylpyrimidin-3-ium-4-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 158578027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).