1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium

C154H169N14O5+5 — CID 157299577

About 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium

1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium (PubChem CID 157299577) has the molecular formula C154H169N14O5+5 and a molecular weight of 2296.14 g/mol. Its IUPAC name is 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium.

Molecular Properties

• Compound Name: 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium
• PubChem CID: 157299577
• Molecular Formula: C154H169N14O5+5
• Molecular Weight: 2296.14 g/mol
• Exact Mass: 2294.34
• IUPAC Name: 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-n1nc(C)[n+](C(C)C)c1-c1c(C(C)C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-n1nc(C)[n+](C(C)C)c1-c1c(C(C)C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-n1nc(C)[n+](C(C)C)c1-c1ccccc1C(C)C.Cc1n(-c2ccccc2)cc(-c2ccccc2C(C)C)[n+]1C(C)C.Cc1nn(-c2c(C(C)C)cc3c(oc4ccccc43)c2C(C)C)c(-c2ccccc2C(C)C)[n+]1C(C)C
• InChI: InChI=1S/C35H34N3O2.C35H36N3O.C33H40N3O.C29H32N3O.C22H27N2/c1-19(2)24-16-17-27-25-12-8-10-14-29(25)40-34(27)31(24)35-37(20(3)4)23(7)36-38(35)32-21(5)18-28-26-13-9-11-15-30(26)39-33(28)22(32)6;1-21(2)28-17-18-30-29-15-11-12-16-31(29)39-34(30)32(28)35-37(22(3)4)25(7)36-38(35)33-23(5)19-27(20-24(33)6)26-13-9-8-10-14-26;1-19(2)24-14-10-11-16-26(24)33-35(22(7)8)23(9)34-36(33)31-27(20(3)4)18-28-25-15-12-13-17-29(25)37-32(28)30(31)21(5)6;1-17(2)22-12-8-9-14-24(22)29-31(18(3)4)21(7)30-32(29)27-19(5)16-25-23-13-10-11-15-26(23)33-28(25)20(27)6;1-16(2)20-13-9-10-14-21(20)22-15-23(18(5)24(22)17(3)4)19-11-7-6-8-12-19/h8-20H,1-7H3;8-22H,1-7H3;10-22H,1-9H3;8-18H,1-7H3;6-17H,1-5H3/q5*+1
• InChIKey: FVODSYYQAJVWOS-UHFFFAOYSA-N
• XLogP: 40.06
• TPSA: 161.31 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.14
LogP ≤ 5	40.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium?

The IUPAC name of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium (CID 157299577) is 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium.

What is the SMILES notation for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium?

The canonical SMILES for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium is Cc1cc(-c2ccccc2)cc(C)c1-n1nc(C)[n+](C(C)C)c1-c1c(C(C)C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-n1nc(C)[n+](C(C)C)c1-c1c(C(C)C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-n1nc(C)[n+](C(C)C)c1-c1ccccc1C(C)C.Cc1n(-c2ccccc2)cc(-c2ccccc2C(C)C)[n+]1C(C)C.Cc1nn(-c2c(C(C)C)cc3c(oc4ccccc43)c2C(C)C)c(-c2ccccc2C(C)C)[n+]1C(C)C.

What is the InChIKey of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium?

The InChIKey is FVODSYYQAJVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N3O2.C35H36N3O.C33H40N3O.C29H32N3O.C22H27N2/c1-19(2)24-16-17-27-25-12-8-10-14-29(25)40-34(27)31(24)35-37(20(3)4)23(7)36-38(35)32-21(5)18-28-26-13-9-11-15-30(26)39-33(28)22(32)6;1-21(2)28-17-18-30-29-15-11-12-16-31(29)39-34(30)32(28)35-37(22(3)4)25(7)36-38(35)33-23(5)19-27(20-24(33)6)26-13-9-8-10-14-26;1-19(2)24-14-10-11-16-26(24)33-35(22(7)8)23(9)34-36(33)31-27(20(3)4)18-28-25-15-12-13-17-29(25)37-32(28)30(31)21(5)6;1-17(2)22-12-8-9-14-24(22)29-31(18(3)4)21(7)30-32(29)27-19(5)16-25-23-13-10-11-15-26(23)33-28(25)20(27)6;1-16(2)20-13-9-10-14-21(20)22-15-23(18(5)24(22)17(3)4)19-11-7-6-8-12-19/h8-20H,1-7H3;8-22H,1-7H3;10-22H,1-9H3;8-18H,1-7H3;6-17H,1-5H3/q5*+1.

What are the key properties of 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium?

1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium has a molecular weight of 2296.14 g/mol, XLogP of 40.06, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;1-(2,6-dimethyl-4-phenylphenyl)-3-methyl-4-propan-2-yl-5-(3-propan-2-yldibenzofuran-4-yl)-1,2,4-triazol-4-ium;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-4-propan-2-yl-5-(2-propan-2-ylphenyl)-1,2,4-triazol-4-ium;2-methyl-1-phenyl-3-propan-2-yl-4-(2-propan-2-ylphenyl)imidazol-3-ium is sourced from PubChem (CID 157299577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).