3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium

C151H154N15+5 — CID 158686202

About 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium

3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium (PubChem CID 158686202) has the molecular formula C151H154N15+5 and a molecular weight of 2179.00 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium
• PubChem CID: 158686202
• Molecular Formula: C151H154N15+5
• Molecular Weight: 2179.00 g/mol
• Exact Mass: 2177.25
• IUPAC Name: 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium
• SMILES: Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3cc(-n4c(C)ccc4C)ccc3n12.Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3cc(-n4cccc4)ccc3n12.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-n3c(C)ccc3C)cc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccc(-n3c(C)ccc3C)cc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccc(-n3cccc3)cc2C(C)C)c2ccccc2[n+]1C
• InChI: InChI=1S/C33H38N3.C31H30N3.C30H32N3.C29H26N3.C28H28N3/c1-21(2)28-19-26(35-24(6)17-18-25(35)7)20-29(22(3)4)32(28)36-31-16-12-11-15-30(31)34(8)33(36)27-14-10-9-13-23(27)5;1-19-9-7-10-20(2)29(19)28-18-32(6)31-30-21(3)11-8-12-25(30)26-17-24(15-16-27(26)34(28)31)33-22(4)13-14-23(33)5;1-20(2)26-19-24(32-22(4)15-16-23(32)5)17-18-27(26)33-29-14-10-9-13-28(29)31(6)30(33)25-12-8-7-11-21(25)3;1-19-9-7-10-20(2)27(19)26-18-30(4)29-28-21(3)11-8-12-23(28)24-17-22(31-15-5-6-16-31)13-14-25(24)32(26)29;1-20(2)24-19-22(30-17-9-10-18-30)15-16-25(24)31-27-14-8-7-13-26(27)29(4)28(31)23-12-6-5-11-21(23)3/h9-22H,1-8H3;7-18H,1-6H3;7-20H,1-6H3;5-18H,1-4H3;5-20H,1-4H3/q5*+1
• InChIKey: SRBLSCGFQHQQKY-UHFFFAOYSA-N
• XLogP: 34.91
• TPSA: 67.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2179.00
LogP ≤ 5	34.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium?

The IUPAC name of 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium (CID 158686202) is 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium?

The canonical SMILES for 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium is Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3cc(-n4c(C)ccc4C)ccc3n12.Cc1cccc(C)c1-c1c[n+](C)c2c3c(C)cccc3c3cc(-n4cccc4)ccc3n12.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-n3c(C)ccc3C)cc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccc(-n3c(C)ccc3C)cc2C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccc(-n3cccc3)cc2C(C)C)c2ccccc2[n+]1C.

What is the InChIKey of 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium?

The InChIKey is SRBLSCGFQHQQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N3.C31H30N3.C30H32N3.C29H26N3.C28H28N3/c1-21(2)28-19-26(35-24(6)17-18-25(35)7)20-29(22(3)4)32(28)36-31-16-12-11-15-30(31)34(8)33(36)27-14-10-9-13-23(27)5;1-19-9-7-10-20(2)29(19)28-18-32(6)31-30-21(3)11-8-12-25(30)26-17-24(15-16-27(26)34(28)31)33-22(4)13-14-23(33)5;1-20(2)26-19-24(32-22(4)15-16-23(32)5)17-18-27(26)33-29-14-10-9-13-28(29)31(6)30(33)25-12-8-7-11-21(25)3;1-19-9-7-10-20(2)27(19)26-18-30(4)29-28-21(3)11-8-12-23(28)24-17-22(31-15-5-6-16-31)13-14-25(24)32(26)29;1-20(2)24-19-22(30-17-9-10-18-30)15-16-25(24)31-27-14-8-7-13-26(27)29(4)28(31)23-12-6-5-11-21(23)3/h9-22H,1-8H3;7-18H,1-6H3;7-20H,1-6H3;5-18H,1-4H3;5-20H,1-4H3/q5*+1.

What are the key properties of 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium?

3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium has a molecular weight of 2179.00 g/mol, XLogP of 34.91, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-7-(2,5-dimethylpyrrol-1-yl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;3-(2,6-dimethylphenyl)-1,12-dimethyl-7-pyrrol-1-ylimidazo[1,2-f]phenanthridin-1-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[4-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylphenyl]-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yl-4-pyrrol-1-ylphenyl)benzimidazol-1-ium is sourced from PubChem (CID 158686202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).