3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)

C90H72Ir4N8O2S-4 — CID 158249788

About 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)

3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium) (PubChem CID 158249788) has the molecular formula C90H72Ir4N8O2S-4 and a molecular weight of 2098.55 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium).

Molecular Properties

• Compound Name: 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)
• PubChem CID: 158249788
• Molecular Formula: C90H72Ir4N8O2S-4
• Molecular Weight: 2098.55 g/mol
• Exact Mass: 2100.40
• IUPAC Name: 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)n1C.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)o1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)s1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H20N3.C23H18NO.C22H17N2O.C22H17N2S.4Ir/c1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-25-24-22(26(23)3)19-12-8-5-9-13-19;1-16-13-20(18-9-5-3-6-10-18)14-17(2)23(16)22-15-21(24-25-22)19-11-7-4-8-12-19;2*1-15-13-19(17-9-5-3-6-10-17)14-16(2)20(15)22-24-23-21(25-22)18-11-7-4-8-12-18;;;;/h4-12,14-15H,1-3H3;3-11,13-15H,1-2H3;2*3-11,13-14H,1-2H3;;;;/q4*-1
• InChIKey: RPDADQFVBOCIBM-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 121.44 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.55
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)?

The IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium) (CID 158249788) is 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium).

What is the SMILES notation for 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)?

The canonical SMILES for 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium) is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)n1C.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)o1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)s1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)?

The InChIKey is RPDADQFVBOCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3.C23H18NO.C22H17N2O.C22H17N2S.4Ir/c1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-25-24-22(26(23)3)19-12-8-5-9-13-19;1-16-13-20(18-9-5-3-6-10-18)14-17(2)23(16)22-15-21(24-25-22)19-11-7-4-8-12-19;2*1-15-13-19(17-9-5-3-6-10-17)14-16(2)20(15)22-24-23-21(25-22)18-11-7-4-8-12-18;;;;/h4-12,14-15H,1-3H3;3-11,13-15H,1-2H3;2*3-11,13-14H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)?

3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium) has a molecular weight of 2098.55 g/mol, XLogP of 22.76, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium) is sourced from PubChem (CID 158249788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).