1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole

C92H132F6N9O+5 — CID 158108322

About 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole

1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole (PubChem CID 158108322) has the molecular formula C92H132F6N9O+5 and a molecular weight of 1494.12 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole.

Molecular Properties

• Compound Name: 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole
• PubChem CID: 158108322
• Molecular Formula: C92H132F6N9O+5
• Molecular Weight: 1494.12 g/mol
• Exact Mass: 1493.04
• IUPAC Name: 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole
• SMILES: CC(C)(C)C1=NC(C(C)(C)C)C(c2cccc[n+]2C(C)(C)C)=C1.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)n1c(-c2cccc[n+]2C(C)C)cc2ccccc21.CC(C)n1cccc1-c1cccc[n+]1C(C)(C)C.Cc1cc[n+](C(C)(C)C)c(C2=CC(C(C)(C)C)=NC2C(C)(C)C)c1
• InChI: InChI=1S/C22H35N2.C21H33N2.C19H23N2.C16H23N2.C14H18F6NO/c1-15-11-12-24(22(8,9)10)17(13-15)16-14-18(20(2,3)4)23-19(16)21(5,6)7;1-19(2,3)17-14-15(18(22-17)20(4,5)6)16-12-10-11-13-23(16)21(7,8)9;1-14(2)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)21(19)15(3)4;1-13(2)17-11-8-10-14(17)15-9-6-7-12-18(15)16(3,4)5;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4/h11-14,19H,1-10H3;10-14,18H,1-9H3;5-15H,1-4H3;6-13H,1-5H3;5-10H,1-4H3/q5*+1
• InChIKey: UQKSCUUNTVLEOW-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 63.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1494.12
LogP ≤ 5	23.20
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 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole?

The IUPAC name of 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole (CID 158108322) is 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole.

What is the SMILES notation for 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole?

The canonical SMILES for 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole is CC(C)(C)C1=NC(C(C)(C)C)C(c2cccc[n+]2C(C)(C)C)=C1.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)n1c(-c2cccc[n+]2C(C)C)cc2ccccc21.CC(C)n1cccc1-c1cccc[n+]1C(C)(C)C.Cc1cc[n+](C(C)(C)C)c(C2=CC(C(C)(C)C)=NC2C(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole?

The InChIKey is UQKSCUUNTVLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N2.C21H33N2.C19H23N2.C16H23N2.C14H18F6NO/c1-15-11-12-24(22(8,9)10)17(13-15)16-14-18(20(2,3)4)23-19(16)21(5,6)7;1-19(2,3)17-14-15(18(22-17)20(4,5)6)16-12-10-11-13-23(16)21(7,8)9;1-14(2)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)21(19)15(3)4;1-13(2)17-11-8-10-14(17)15-9-6-7-12-18(15)16(3,4)5;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4/h11-14,19H,1-10H3;10-14,18H,1-9H3;5-15H,1-4H3;6-13H,1-5H3;5-10H,1-4H3/q5*+1.

What are the key properties of 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole?

1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole has a molecular weight of 1494.12 g/mol, XLogP of 23.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)-4-methylpyridin-1-ium;1-tert-butyl-2-(2,5-ditert-butyl-2H-pyrrol-3-yl)pyridin-1-ium;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)indole is sourced from PubChem (CID 158108322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).