2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole

C154H152N15+5 — CID 157074756

About 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole

2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole (PubChem CID 157074756) has the molecular formula C154H152N15+5 and a molecular weight of 2213.01 g/mol. Its IUPAC name is 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole.

Molecular Properties

• Compound Name: 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole
• PubChem CID: 157074756
• Molecular Formula: C154H152N15+5
• Molecular Weight: 2213.01 g/mol
• Exact Mass: 2211.23
• IUPAC Name: 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole
• SMILES: Cc1c(-c2cc(-c3ccccn3)cc[n+]2C)n(-c2ccccc2C(C)C)c2ccccc12.Cc1cc(C)c(-n2c(-c3cc(-c4ccccn4)cc[n+]3C)c(C)c3ccccc32)c(C)c1.Cc1ccn(-c2c(-c3ccccc3)cccc2-c2ccccc2)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccn(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccn(-c2c(C(C)C)cccc2C(C)C)c1-c1cc(-c2ccccn2)cc[n+]1C
• InChI: InChI=1S/C34H28N3.C34H36N3.2C29H28N3.C28H32N3/c1-25-19-23-37(33(25)32-24-28(20-22-36(32)2)31-18-9-10-21-35-31)34-29(26-12-5-3-6-13-26)16-11-17-30(34)27-14-7-4-8-15-27;1-23(2)29-20-28(26-12-8-7-9-13-26)21-30(24(3)4)34(29)37-19-15-25(5)33(37)32-22-27(16-18-36(32)6)31-14-10-11-17-35-31;1-19-16-20(2)28(21(3)17-19)32-26-12-7-6-10-24(26)22(4)29(32)27-18-23(13-15-31(27)5)25-11-8-9-14-30-25;1-20(2)23-11-5-7-14-26(23)32-27-15-8-6-12-24(27)21(3)29(32)28-19-22(16-18-31(28)4)25-13-9-10-17-30-25;1-19(2)23-10-9-11-24(20(3)4)28(23)31-17-13-21(5)27(31)26-18-22(14-16-30(26)6)25-12-7-8-15-29-25/h3-24H,1-2H3;7-24H,1-6H3;6-18H,1-5H3;5-20H,1-4H3;7-20H,1-6H3/q5*+1
• InChIKey: ZLUKIPFKNKDWCZ-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 108.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2213.01
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole?

The IUPAC name of 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole (CID 157074756) is 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole.

What is the SMILES notation for 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole?

The canonical SMILES for 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole is Cc1c(-c2cc(-c3ccccn3)cc[n+]2C)n(-c2ccccc2C(C)C)c2ccccc12.Cc1cc(C)c(-n2c(-c3cc(-c4ccccn4)cc[n+]3C)c(C)c3ccccc32)c(C)c1.Cc1ccn(-c2c(-c3ccccc3)cccc2-c2ccccc2)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccn(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)c1-c1cc(-c2ccccn2)cc[n+]1C.Cc1ccn(-c2c(C(C)C)cccc2C(C)C)c1-c1cc(-c2ccccn2)cc[n+]1C.

What is the InChIKey of 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole?

The InChIKey is ZLUKIPFKNKDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N3.C34H36N3.2C29H28N3.C28H32N3/c1-25-19-23-37(33(25)32-24-28(20-22-36(32)2)31-18-9-10-21-35-31)34-29(26-12-5-3-6-13-26)16-11-17-30(34)27-14-7-4-8-15-27;1-23(2)29-20-28(26-12-8-7-9-13-26)21-30(24(3)4)34(29)37-19-15-25(5)33(37)32-22-27(16-18-36(32)6)31-14-10-11-17-35-31;1-19-16-20(2)28(21(3)17-19)32-26-12-7-6-10-24(26)22(4)29(32)27-18-23(13-15-31(27)5)25-11-8-9-14-30-25;1-20(2)23-11-5-7-14-26(23)32-27-15-8-6-12-24(27)21(3)29(32)28-19-22(16-18-31(28)4)25-13-9-10-17-30-25;1-19(2)23-10-9-11-24(20(3)4)28(23)31-17-13-21(5)27(31)26-18-22(14-16-30(26)6)25-12-7-8-15-29-25/h3-24H,1-2H3;7-24H,1-6H3;6-18H,1-5H3;5-20H,1-4H3;7-20H,1-6H3/q5*+1.

What are the key properties of 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole?

2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole has a molecular weight of 2213.01 g/mol, XLogP of 35.55, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;2-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-1-methyl-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-4-pyridin-2-ylpyridin-1-ium;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2-propan-2-ylphenyl)indole;3-methyl-2-(1-methyl-4-pyridin-2-ylpyridin-1-ium-2-yl)-1-(2,4,6-trimethylphenyl)indole is sourced from PubChem (CID 157074756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).