2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium

C124H129N10+5 — CID 158444632

About 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium

2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium (PubChem CID 158444632) has the molecular formula C124H129N10+5 and a molecular weight of 1759.47 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium
• PubChem CID: 158444632
• Molecular Formula: C124H129N10+5
• Molecular Weight: 1759.47 g/mol
• Exact Mass: 1758.04
• IUPAC Name: 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium
• SMILES: Cc1c2c(n(-c3c(C(C)C)cccc3C(C)C)c1C)-c1cccc[n+]1C2.Cc1c2c(n(-c3ccccc3C(C)C)c1C)-c1cccc[n+]1C2.Cc1cc(C)c(-n2c(C)c(C)c3c2-c2cccc[n+]2C3)c(C)c1.Cc1cc2c(n1-c1c(-c3ccccc3)cccc1-c1ccccc1)-c1cccc[n+]1C2.Cc1cc2c(n1-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)-c1cccc[n+]1C2
• InChI: InChI=1S/C29H23N2.C29H31N2.C24H29N2.2C21H23N2/c1-21-19-24-20-30-18-9-8-17-27(30)28(24)31(21)29-25(22-11-4-2-5-12-22)15-10-16-26(29)23-13-6-3-7-14-23;1-19(2)25-16-23(22-11-7-6-8-12-22)17-26(20(3)4)29(25)31-21(5)15-24-18-30-14-10-9-13-27(30)28(24)31;1-15(2)19-10-9-11-20(16(3)4)23(19)26-18(6)17(5)21-14-25-13-8-7-12-22(25)24(21)26;1-13-10-14(2)20(15(3)11-13)23-17(5)16(4)18-12-22-9-7-6-8-19(22)21(18)23;1-14(2)17-9-5-6-10-19(17)23-16(4)15(3)18-13-22-12-8-7-11-20(22)21(18)23/h2-19H,20H2,1H3;6-17,19-20H,18H2,1-5H3;7-13,15-16H,14H2,1-6H3;6-11H,12H2,1-5H3;5-12,14H,13H2,1-4H3/q5*+1
• InChIKey: KJIUUZISAMINPN-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 44.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1759.47
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium?

The IUPAC name of 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium (CID 158444632) is 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium.

What is the SMILES notation for 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium?

The canonical SMILES for 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium is Cc1c2c(n(-c3c(C(C)C)cccc3C(C)C)c1C)-c1cccc[n+]1C2.Cc1c2c(n(-c3ccccc3C(C)C)c1C)-c1cccc[n+]1C2.Cc1cc(C)c(-n2c(C)c(C)c3c2-c2cccc[n+]2C3)c(C)c1.Cc1cc2c(n1-c1c(-c3ccccc3)cccc1-c1ccccc1)-c1cccc[n+]1C2.Cc1cc2c(n1-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)-c1cccc[n+]1C2.

What is the InChIKey of 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium?

The InChIKey is KJIUUZISAMINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N2.C29H31N2.C24H29N2.2C21H23N2/c1-21-19-24-20-30-18-9-8-17-27(30)28(24)31(21)29-25(22-11-4-2-5-12-22)15-10-16-26(29)23-13-6-3-7-14-23;1-19(2)25-16-23(22-11-7-6-8-12-22)17-26(20(3)4)29(25)31-21(5)15-24-18-30-14-10-9-13-27(30)28(24)31;1-15(2)19-10-9-11-20(16(3)4)23(19)26-18(6)17(5)21-14-25-13-8-7-12-22(25)24(21)26;1-13-10-14(2)20(15(3)11-13)23-17(5)16(4)18-12-22-9-7-6-8-19(22)21(18)23;1-14(2)17-9-5-6-10-19(17)23-16(4)15(3)18-13-22-12-8-7-11-20(22)21(18)23/h2-19H,20H2,1H3;6-17,19-20H,18H2,1-5H3;7-13,15-16H,14H2,1-6H3;6-11H,12H2,1-5H3;5-12,14H,13H2,1-4H3/q5*+1.

What are the key properties of 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium?

2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium has a molecular weight of 1759.47 g/mol, XLogP of 27.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-(2-propan-2-ylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;2,3-dimethyl-1-(2,4,6-trimethylphenyl)-4H-pyrrolo[2,3-a]indolizin-5-ium;1-(2,6-diphenylphenyl)-2-methyl-4H-pyrrolo[2,3-a]indolizin-5-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-4H-pyrrolo[2,3-a]indolizin-5-ium;2-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium is sourced from PubChem (CID 158444632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).