1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium

C112H143N8O7+5 — CID 159557071

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium (PubChem CID 159557071) has the molecular formula C112H143N8O7+5 and a molecular weight of 1713.42 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium
• PubChem CID: 159557071
• Molecular Formula: C112H143N8O7+5
• Molecular Weight: 1713.42 g/mol
• Exact Mass: 1712.11
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium
• SMILES: Cc1c(OC(C)C)ccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(C)C2(C)C.Cc1c(OC(C)C)cccc1-c1c[n+](-c2c(C(C)C)cccc2C(C)C)cn1C.Cc1c(OC(C)C)cccc1-c1coc(-c2ccccc2)[n+]1C.Cc1c(OC(C)C)cccc1-c1coc[n+]1C.Cc1c(OC(C)C)cccc1-n1cc(-c2c(C(C)C)cccc2C(C)C)c[n+]1C
• InChI: InChI=1S/C26H33N2O.2C26H35N2O.C20H22NO2.C14H18NO2/c1-17(2)29-22-15-14-21-23(18(22)3)28-24(26(6,7)25(21,4)5)20(16-27(28)8)19-12-10-9-11-13-19;1-17(2)22-11-9-12-23(18(3)4)26(22)21-15-27(8)28(16-21)24-13-10-14-25(20(24)7)29-19(5)6;1-17(2)21-11-9-12-22(18(3)4)26(21)28-15-24(27(8)16-28)23-13-10-14-25(20(23)7)29-19(5)6;1-14(2)23-19-12-8-11-17(15(19)3)18-13-22-20(21(18)4)16-9-6-5-7-10-16;1-10(2)17-14-7-5-6-12(11(14)3)13-8-16-9-15(13)4/h9-17H,1-8H3;2*9-19H,1-8H3;5-14H,1-4H3;5-10H,1-4H3/q5*+1
• InChIKey: DGORHGUMYBVWHX-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 106.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1713.42
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium (CID 159557071) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium is Cc1c(OC(C)C)ccc2c1-n1c(c(-c3ccccc3)c[n+]1C)C(C)(C)C2(C)C.Cc1c(OC(C)C)cccc1-c1c[n+](-c2c(C(C)C)cccc2C(C)C)cn1C.Cc1c(OC(C)C)cccc1-c1coc(-c2ccccc2)[n+]1C.Cc1c(OC(C)C)cccc1-c1coc[n+]1C.Cc1c(OC(C)C)cccc1-n1cc(-c2c(C(C)C)cccc2C(C)C)c[n+]1C.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium?

The InChIKey is DGORHGUMYBVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N2O.2C26H35N2O.C20H22NO2.C14H18NO2/c1-17(2)29-22-15-14-21-23(18(22)3)28-24(26(6,7)25(21,4)5)20(16-27(28)8)19-12-10-9-11-13-19;1-17(2)22-11-9-12-23(18(3)4)26(22)21-15-27(8)28(16-21)24-13-10-14-25(20(24)7)29-19(5)6;1-17(2)21-11-9-12-22(18(3)4)26(21)28-15-24(27(8)16-28)23-13-10-14-25(20(23)7)29-19(5)6;1-14(2)23-19-12-8-11-17(15(19)3)18-13-22-20(21(18)4)16-9-6-5-7-10-16;1-10(2)17-14-7-5-6-12(11(14)3)13-8-16-9-15(13)4/h9-17H,1-8H3;2*9-19H,1-8H3;5-14H,1-4H3;5-10H,1-4H3/q5*+1.

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium?

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium has a molecular weight of 1713.42 g/mol, XLogP of 25.66, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium is sourced from PubChem (CID 159557071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).