5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)

C156H152Ir4N12-4 — CID 158995743

About 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)

5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium) (PubChem CID 158995743) has the molecular formula C156H152Ir4N12-4 and a molecular weight of 2963.88 g/mol. Its IUPAC name is 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium).

Molecular Properties

• Compound Name: 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)
• PubChem CID: 158995743
• Molecular Formula: C156H152Ir4N12-4
• Molecular Weight: 2963.88 g/mol
• Exact Mass: 2965.08
• IUPAC Name: 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)
• SMILES: Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(-c2c(C)cccc2C)n1.Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(C)n1.Cc1nc(-c2[c-]ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)n(C)n1.Cc1nc(-c2[c-]cccc2)n(-c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc2C)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C43H44N3.C36H38N3.C34H26N3.4Ir/c1-28-12-10-13-29(2)40(28)46-41(44-30(3)45-46)34-15-11-14-33(24-34)37-26-35(31-16-20-38(21-17-31)42(4,5)6)25-36(27-37)32-18-22-39(23-19-32)43(7,8)9;1-28-23-34(24-29(2)40(28)46-41(44-30(3)45-46)33-13-11-10-12-14-33)37-26-35(31-15-19-38(20-16-31)42(4,5)6)25-36(27-37)32-17-21-39(22-18-32)43(7,8)9;1-24-37-34(39(8)38-24)28-11-9-10-27(20-28)31-22-29(25-12-16-32(17-13-25)35(2,3)4)21-30(23-31)26-14-18-33(19-15-26)36(5,6)7;1-24-35-34(37(2)36-24)30-18-10-16-28(20-30)27-15-9-17-29(19-27)33-22-31(25-11-5-3-6-12-25)21-32(23-33)26-13-7-4-8-14-26;;;;/h10-14,16-27H,1-9H3;10-13,15-27H,1-9H3;9-10,12-23H,1-8H3;3-17,19-23H,1-2H3;;;;/q4*-1
• InChIKey: WEYPLHZKWMEPJW-UHFFFAOYSA-N
• XLogP: 39.95
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2963.88
LogP ≤ 5	39.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)?

The IUPAC name of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium) (CID 158995743) is 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium).

What is the SMILES notation for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)?

The canonical SMILES for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium) is Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(-c2c(C)cccc2C)n1.Cc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(C)n1.Cc1nc(-c2[c-]ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)n(C)n1.Cc1nc(-c2[c-]cccc2)n(-c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc2C)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)?

The InChIKey is WEYPLHZKWMEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H44N3.C36H38N3.C34H26N3.4Ir/c1-28-12-10-13-29(2)40(28)46-41(44-30(3)45-46)34-15-11-14-33(24-34)37-26-35(31-16-20-38(21-17-31)42(4,5)6)25-36(27-37)32-18-22-39(23-19-32)43(7,8)9;1-28-23-34(24-29(2)40(28)46-41(44-30(3)45-46)33-13-11-10-12-14-33)37-26-35(31-15-19-38(20-16-31)42(4,5)6)25-36(27-37)32-17-21-39(22-18-32)43(7,8)9;1-24-37-34(39(8)38-24)28-11-9-10-27(20-28)31-22-29(25-12-16-32(17-13-25)35(2,3)4)21-30(23-31)26-14-18-33(19-15-26)36(5,6)7;1-24-35-34(37(2)36-24)30-18-10-16-28(20-30)27-15-9-17-29(19-27)33-22-31(25-11-5-3-6-12-25)21-32(23-33)26-13-7-4-8-14-26;;;;/h10-14,16-27H,1-9H3;10-13,15-27H,1-9H3;9-10,12-23H,1-8H3;3-17,19-23H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium)?

5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium) has a molecular weight of 2963.88 g/mol, XLogP of 39.95, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)-3-methyl-1,2,4-triazole;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-methyl-5-phenyl-1,2,4-triazole;5-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-1,3-dimethyl-1,2,4-triazole;tetrakis(iridium) is sourced from PubChem (CID 158995743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).