4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium

C159H156N18O5+6 — CID 158847536

About 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium

4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium (PubChem CID 158847536) has the molecular formula C159H156N18O5+6 and a molecular weight of 2402.14 g/mol. Its IUPAC name is 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium
• PubChem CID: 158847536
• Molecular Formula: C159H156N18O5+6
• Molecular Weight: 2402.14 g/mol
• Exact Mass: 2400.27
• IUPAC Name: 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-[n+]1cnn(C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-[n+]1cnn(C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C(C)C)cc2c(oc3ccccc32)c1C(C)C.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C)cc2c(oc3ccccc32)c1C.[2H]C([2H])([2H])c1nn(C)c(-c2ccccc2C)[n+]1-c1c(C)cccc1C
• InChI: InChI=1S/C30H24N3O2.C30H26N3O.C28H30N3O.C28H32N3.C24H22N3O.C19H22N3/c1-17-13-14-22-20-9-5-7-11-24(20)35-29(22)26(17)30-32(4)31-16-33(30)27-18(2)15-23-21-10-6-8-12-25(21)34-28(23)19(27)3;1-19-14-15-25-24-12-8-9-13-26(24)34-29(25)27(19)30-32(4)31-18-33(30)28-20(2)16-23(17-21(28)3)22-10-6-5-7-11-22;1-17(2)22-15-23-21-13-9-10-14-24(21)32-27(23)25(18(3)4)26(22)31-16-29-30(6)28(31)20-12-8-7-11-19(20)5;1-19(2)25-16-23(22-13-8-7-9-14-22)17-26(20(3)4)27(25)31-18-29-30(6)28(31)24-15-11-10-12-21(24)5;1-15-9-5-6-10-18(15)24-26(4)25-14-27(24)22-16(2)13-20-19-11-7-8-12-21(19)28-23(20)17(22)3;1-13-9-6-7-12-17(13)19-21(5)20-16(4)22(19)18-14(2)10-8-11-15(18)3/h5-16H,1-4H3;5-18H,1-4H3;7-18H,1-6H3;7-20H,1-6H3;5-14H,1-4H3;6-12H,1-5H3/q6*+1/i;;;;;4D3
• InChIKey: FZAQEIVDNMOGOM-VJHJAZSUSA-N
• XLogP: 36.13
• TPSA: 195.90 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2402.14
LogP ≤ 5	36.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium (CID 158847536) is 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium.

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

The canonical SMILES for 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium is Cc1cc(-c2ccccc2)cc(C)c1-[n+]1cnn(C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1cc2c(oc3ccccc32)c(C)c1-[n+]1cnn(C)c1-c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C(C)C)cc2c(oc3ccccc32)c1C(C)C.Cc1ccccc1-c1n(C)nc[n+]1-c1c(C)cc2c(oc3ccccc32)c1C.[2H]C([2H])([2H])c1nn(C)c(-c2ccccc2C)[n+]1-c1c(C)cccc1C.

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

The InChIKey is FZAQEIVDNMOGOM-VJHJAZSUSA-N. The full InChI is InChI=1S/C30H24N3O2.C30H26N3O.C28H30N3O.C28H32N3.C24H22N3O.C19H22N3/c1-17-13-14-22-20-9-5-7-11-24(20)35-29(22)26(17)30-32(4)31-16-33(30)27-18(2)15-23-21-10-6-8-12-25(21)34-28(23)19(27)3;1-19-14-15-25-24-12-8-9-13-26(24)34-29(25)27(19)30-32(4)31-18-33(30)28-20(2)16-23(17-21(28)3)22-10-6-5-7-11-22;1-17(2)22-15-23-21-13-9-10-14-24(21)32-27(23)25(18(3)4)26(22)31-16-29-30(6)28(31)20-12-8-7-11-19(20)5;1-19(2)25-16-23(22-13-8-7-9-14-22)17-26(20(3)4)27(25)31-18-29-30(6)28(31)24-15-11-10-12-21(24)5;1-15-9-5-6-10-18(15)24-26(4)25-14-27(24)22-16(2)13-20-19-11-7-8-12-21(19)28-23(20)17(22)3;1-13-9-6-7-12-17(13)19-21(5)20-16(4)22(19)18-14(2)10-8-11-15(18)3/h5-16H,1-4H3;5-18H,1-4H3;7-18H,1-6H3;7-20H,1-6H3;5-14H,1-4H3;6-12H,1-5H3/q6*+1/i;;;;;4D3.

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

4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium has a molecular weight of 2402.14 g/mol, XLogP of 36.13, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-(2,4-dimethyldibenzofuran-3-yl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;4-(2,6-dimethylphenyl)-1-methyl-5-(2-methylphenyl)-3-(trideuteriomethyl)-1,2,4-triazol-4-ium;4-(2,6-dimethyl-4-phenylphenyl)-1-methyl-5-(3-methyldibenzofuran-4-yl)-1,2,4-triazol-4-ium;4-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-1-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium;1-methyl-5-(2-methylphenyl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-4-ium is sourced from PubChem (CID 158847536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).