1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole

C143H234F6N15O3+7 — CID 157198497

About 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole

1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole (PubChem CID 157198497) has the molecular formula C143H234F6N15O3+7 and a molecular weight of 2325.53 g/mol. Its IUPAC name is 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole.

Molecular Properties

• Compound Name: 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
• PubChem CID: 157198497
• Molecular Formula: C143H234F6N15O3+7
• Molecular Weight: 2325.53 g/mol
• Exact Mass: 2323.85
• IUPAC Name: 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2c3ccccc3n(-c3cccc[n+]3C(C)(C)C)c12.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)Oc1cccc2ccc[n+](C(C)C)c12.CC(C)Oc1ccnc2ccc[n+](C(C)C)c12.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C
• InChI: InChI=1S/C25H29N2.C18H22N3.C15H22N3.C15H20NO.C14H18F6NO.C14H20N3.C14H19N2O.14C2H6/c1-24(2,3)20-14-11-13-19-18-12-7-8-15-21(18)27(23(19)20)22-16-9-10-17-26(22)25(4,5)6;1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-11(2)16-10-6-8-13-7-5-9-14(15(13)16)17-12(3)4;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;1-10(2)16-9-5-6-12-14(16)13(7-8-15-12)17-11(3)4;14*1-2/h7-17H,1-6H3;5-14H,1-4H3;6-12H,1-5H3;5-12H,1-4H3;5-10H,1-4H3;5-12H,1-4H3;5-11H,1-4H3;14*1-2H3/q7*+1
• InChIKey: XRQBEMNOUUMWPQ-UHFFFAOYSA-N
• XLogP: 41.50
• TPSA: 126.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.53
LogP ≤ 5	41.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The IUPAC name of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole (CID 157198497) is 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole.

What is the SMILES notation for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The canonical SMILES for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2c3ccccc3n(-c3cccc[n+]3C(C)(C)C)c12.CC(C)OC(c1cccc[n+]1C(C)C)(C(F)(F)F)C(F)(F)F.CC(C)Oc1cccc2ccc[n+](C(C)C)c12.CC(C)Oc1ccnc2ccc[n+](C(C)C)c12.CC(C)n1c(-c2cccc[n+]2C(C)C)nc2ccccc21.CC(C)n1ccnc1-c1cccc[n+]1C(C)(C)C.CC(C)n1nccc1-c1cccc[n+]1C(C)C.

What is the InChIKey of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

The InChIKey is XRQBEMNOUUMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N2.C18H22N3.C15H22N3.C15H20NO.C14H18F6NO.C14H20N3.C14H19N2O.14C2H6/c1-24(2,3)20-14-11-13-19-18-12-7-8-15-21(18)27(23(19)20)22-16-9-10-17-26(22)25(4,5)6;1-13(2)20-12-8-7-11-17(20)18-19-15-9-5-6-10-16(15)21(18)14(3)4;1-12(2)17-11-9-16-14(17)13-8-6-7-10-18(13)15(3,4)5;1-11(2)16-10-6-8-13-7-5-9-14(15(13)16)17-12(3)4;1-9(2)21-8-6-5-7-11(21)12(13(15,16)17,14(18,19)20)22-10(3)4;1-11(2)16-10-6-5-7-13(16)14-8-9-15-17(14)12(3)4;1-10(2)16-9-5-6-12-14(16)13(7-8-15-12)17-11(3)4;14*1-2/h7-17H,1-6H3;5-14H,1-4H3;6-12H,1-5H3;5-12H,1-4H3;5-10H,1-4H3;5-12H,1-4H3;5-11H,1-4H3;14*1-2H3/q7*+1;;;;;;;;;;;;;;.

What are the key properties of 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole?

1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole has a molecular weight of 2325.53 g/mol, XLogP of 41.50, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole is sourced from PubChem (CID 157198497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).