3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium

C155H166N12+6 — CID 161012844

About 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium

3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium (PubChem CID 161012844) has the molecular formula C155H166N12+6 and a molecular weight of 2197.12 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium.

Molecular Properties

• Compound Name: 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium
• PubChem CID: 161012844
• Molecular Formula: C155H166N12+6
• Molecular Weight: 2197.12 g/mol
• Exact Mass: 2195.33
• IUPAC Name: 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium
• SMILES: Cc1cccc2c3cccc4c3[n+]3c(c(C)n(C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3cccc4c3n3c(c(-c5ccccc5)[n+](C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3cccc4c3n3c(c[n+](C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)c2ccccc2[n+]1C
• InChI: InChI=1S/C31H35N2.C29H29N2.C27H31N2.C24H27N2.C23H25N2.C21H19N2/c1-20(2)17-23-12-10-13-24(18-21(3)4)30(23)28-19-32(6)31-29-22(5)11-9-15-26(29)25-14-7-8-16-27(25)33(28)31;1-18-12-10-15-20-21-16-11-17-22-25(21)31-26(29(4,5)28(22,2)3)24(19-13-8-7-9-14-19)30(6)27(31)23(18)20;1-18(2)21-14-11-15-22(19(3)4)26(21)29-25-17-10-9-16-24(25)28(6)27(29)23-13-8-7-12-20(23)5;1-14-10-8-11-16-17-12-9-13-18-20(17)26-21(24(5,6)23(18,3)4)15(2)25(7)22(26)19(14)16;1-14-9-7-10-15-16-11-8-12-17-20(16)25-18(23(4,5)22(17,2)3)13-24(6)21(25)19(14)15;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/h7-16,19-21H,17-18H2,1-6H3;7-17H,1-6H3;7-19H,1-6H3;8-13H,1-7H3;7-13H,1-6H3;3-15H,1-2H3/q6*+1
• InChIKey: NPBUBTZJAZJFAS-UHFFFAOYSA-N
• XLogP: 35.37
• TPSA: 51.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2197.12
LogP ≤ 5	35.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium?

The IUPAC name of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium (CID 161012844) is 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium.

What is the SMILES notation for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium?

The canonical SMILES for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium is Cc1cccc2c3cccc4c3[n+]3c(c(C)n(C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3cccc4c3n3c(c(-c5ccccc5)[n+](C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3cccc4c3n3c(c[n+](C)c3c12)C(C)(C)C4(C)C.Cc1cccc2c3ccccc3n3c(-c4c(CC(C)C)cccc4CC(C)C)c[n+](C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)c2ccccc2[n+]1C.

What is the InChIKey of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium?

The InChIKey is NPBUBTZJAZJFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N2.C29H29N2.C27H31N2.C24H27N2.C23H25N2.C21H19N2/c1-20(2)17-23-12-10-13-24(18-21(3)4)30(23)28-19-32(6)31-29-22(5)11-9-15-26(29)25-14-7-8-16-27(25)33(28)31;1-18-12-10-15-20-21-16-11-17-22-25(21)31-26(29(4,5)28(22,2)3)24(19-13-8-7-9-14-19)30(6)27(31)23(18)20;1-18(2)21-14-11-15-22(19(3)4)26(21)29-25-17-10-9-16-24(25)28(6)27(29)23-13-8-7-12-20(23)5;1-14-10-8-11-16-17-12-9-13-18-20(17)26-21(24(5,6)23(18,3)4)15(2)25(7)22(26)19(14)16;1-14-9-7-10-15-16-11-8-12-17-20(16)25-18(23(4,5)22(17,2)3)13-24(6)21(25)19(14)15;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/h7-16,19-21H,17-18H2,1-6H3;7-17H,1-6H3;7-19H,1-6H3;8-13H,1-7H3;7-13H,1-6H3;3-15H,1-2H3/q6*+1.

What are the key properties of 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium?

3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium has a molecular weight of 2197.12 g/mol, XLogP of 35.37, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-bis(2-methylpropyl)phenyl]-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;6,9,10,12,12,13,13-heptamethyl-9-aza-19-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8(19),10,14,16-octaene;6,9,12,12,13,13-hexamethyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;6,9,12,12,13,13-hexamethyl-10-phenyl-19-aza-9-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium is sourced from PubChem (CID 161012844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).