1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium

C132H136N13O3+5 — CID 158518896

About 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium

1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium (PubChem CID 158518896) has the molecular formula C132H136N13O3+5 and a molecular weight of 1952.63 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium
• PubChem CID: 158518896
• Molecular Formula: C132H136N13O3+5
• Molecular Weight: 1952.63 g/mol
• Exact Mass: 1951.09
• IUPAC Name: 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium
• SMILES: Cc1cc(C)cc(-c2n(C)c(-c3c(C)ccc4c3oc3ccccc34)c[n+]2-c2c(C)cccc2C(C)C)c1.Cc1cc(C)cc(-c2n(C)c(-c3c(C)ccc4c3oc3ccccc34)c[n+]2-c2c(C)cccc2C)c1.Cc1cccc(C)c1-n1nc[n+](C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)nc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)nc[n+]1C
• InChI: InChI=1S/C35H35N2O.C33H31N2O.C24H22N3O.C22H28N3.C18H20N3/c1-21(2)27-13-10-11-25(6)33(27)37-20-30(36(7)35(37)26-18-22(3)17-23(4)19-26)32-24(5)15-16-29-28-12-8-9-14-31(28)38-34(29)32;1-20-16-21(2)18-25(17-20)33-34(6)28(19-35(33)31-23(4)10-9-11-24(31)5)30-22(3)14-15-27-26-12-7-8-13-29(26)36-32(27)30;1-15-12-13-19-18-10-5-6-11-20(18)28-23(19)21(15)24-26(4)14-25-27(24)22-16(2)8-7-9-17(22)3;1-15(2)18-12-9-13-19(16(3)4)21(18)25-22(24(6)14-23-25)20-11-8-7-10-17(20)5;1-13-8-5-6-11-16(13)18-20(4)12-19-21(18)17-14(2)9-7-10-15(17)3/h8-21H,1-7H3;7-19H,1-6H3;5-14H,1-4H3;7-16H,1-6H3;5-12H,1-4H3/q5*+1
• InChIKey: RANUIQZHGYMWHM-UHFFFAOYSA-N
• XLogP: 30.37
• TPSA: 122.14 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.63
LogP ≤ 5	30.37
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-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium?

The IUPAC name of 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium (CID 158518896) is 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium.

What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium?

The canonical SMILES for 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium is Cc1cc(C)cc(-c2n(C)c(-c3c(C)ccc4c3oc3ccccc34)c[n+]2-c2c(C)cccc2C(C)C)c1.Cc1cc(C)cc(-c2n(C)c(-c3c(C)ccc4c3oc3ccccc34)c[n+]2-c2c(C)cccc2C)c1.Cc1cccc(C)c1-n1nc[n+](C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)nc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)nc[n+]1C.

What is the InChIKey of 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium?

The InChIKey is RANUIQZHGYMWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N2O.C33H31N2O.C24H22N3O.C22H28N3.C18H20N3/c1-21(2)27-13-10-11-25(6)33(27)37-20-30(36(7)35(37)26-18-22(3)17-23(4)19-26)32-24(5)15-16-29-28-12-8-9-14-31(28)38-34(29)32;1-20-16-21(2)18-25(17-20)33-34(6)28(19-35(33)31-23(4)10-9-11-24(31)5)30-22(3)14-15-27-26-12-7-8-13-29(26)36-32(27)30;1-15-12-13-19-18-10-5-6-11-20(18)28-23(19)21(15)24-26(4)14-25-27(24)22-16(2)8-7-9-17(22)3;1-15(2)18-12-9-13-19(16(3)4)21(18)25-22(24(6)14-23-25)20-11-8-7-10-17(20)5;1-13-8-5-6-11-16(13)18-20(4)12-19-21(18)17-14(2)9-7-10-15(17)3/h8-21H,1-7H3;7-19H,1-6H3;5-14H,1-4H3;7-16H,1-6H3;5-12H,1-4H3/q5*+1.

What are the key properties of 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium?

1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium has a molecular weight of 1952.63 g/mol, XLogP of 30.37, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)imidazol-1-ium;2-(3,5-dimethylphenyl)-3-methyl-4-(3-methyldibenzofuran-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)imidazol-1-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,6-dimethylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-[2,6-di(propan-2-yl)phenyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium is sourced from PubChem (CID 158518896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).