4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum

C97H72F2Ir3N15Pt2-5 — CID 158943981

About 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum

4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum (PubChem CID 158943981) has the molecular formula C97H72F2Ir3N15Pt2-5 and a molecular weight of 2452.55 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum.

Molecular Properties

• Compound Name: 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum
• PubChem CID: 158943981
• Molecular Formula: C97H72F2Ir3N15Pt2-5
• Molecular Weight: 2452.55 g/mol
• Exact Mass: 2453.43
• IUPAC Name: 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum
• SMILES: Cc1cccc(C)c1-n1c(C)nnc1-c1[c-]cc(F)cc1.Cc1nnc(-c2[c-]cc(F)cc2)n1-c1ccccc1.Cc1nnc(-c2[c-]cc3ccccc3c2)n1-c1ccc2ccccc2c1.Cc1nnc(-c2[c-]cc3ccccc3c2)n1-c1cccc2ccccc12.Cc1nnc(-c2[c-]ccc3ccccc23)n1-c1ccccc1.[Ir].[Ir].[Ir].[Pt].[Pt]
• InChI: InChI=1S/2C23H16N3.C19H14N3.C17H15FN3.C15H11FN3.3Ir.2Pt/c1-16-24-25-23(21-11-10-17-6-2-4-8-19(17)14-21)26(16)22-13-12-18-7-3-5-9-20(18)15-22;1-16-24-25-23(20-14-13-17-7-2-3-9-19(17)15-20)26(16)22-12-6-10-18-8-4-5-11-21(18)22;1-14-20-21-19(22(14)16-10-3-2-4-11-16)18-13-7-9-15-8-5-6-12-17(15)18;1-11-5-4-6-12(2)16(11)21-13(3)19-20-17(21)14-7-9-15(18)10-8-14;1-11-17-18-15(12-7-9-13(16)10-8-12)19(11)14-5-3-2-4-6-14;;;;;/h2-10,12-15H,1H3;2-13,15H,1H3;2-12H,1H3;4-7,9-10H,1-3H3;2-7,9-10H,1H3;;;;;/q5*-1
• InChIKey: ROBZVDQCZRXIQL-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 153.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.55
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum?

The IUPAC name of 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum (CID 158943981) is 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum.

What is the SMILES notation for 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum?

The canonical SMILES for 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum is Cc1cccc(C)c1-n1c(C)nnc1-c1[c-]cc(F)cc1.Cc1nnc(-c2[c-]cc(F)cc2)n1-c1ccccc1.Cc1nnc(-c2[c-]cc3ccccc3c2)n1-c1ccc2ccccc2c1.Cc1nnc(-c2[c-]cc3ccccc3c2)n1-c1cccc2ccccc12.Cc1nnc(-c2[c-]ccc3ccccc23)n1-c1ccccc1.[Ir].[Ir].[Ir].[Pt].[Pt].

What is the InChIKey of 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum?

The InChIKey is ROBZVDQCZRXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16N3.C19H14N3.C17H15FN3.C15H11FN3.3Ir.2Pt/c1-16-24-25-23(21-11-10-17-6-2-4-8-19(17)14-21)26(16)22-13-12-18-7-3-5-9-20(18)15-22;1-16-24-25-23(20-14-13-17-7-2-3-9-19(17)15-20)26(16)22-12-6-10-18-8-4-5-11-21(18)22;1-14-20-21-19(22(14)16-10-3-2-4-11-16)18-13-7-9-15-8-5-6-12-17(15)18;1-11-5-4-6-12(2)16(11)21-13(3)19-20-17(21)14-7-9-15(18)10-8-14;1-11-17-18-15(12-7-9-13(16)10-8-12)19(11)14-5-3-2-4-6-14;;;;;/h2-10,12-15H,1H3;2-13,15H,1H3;2-12H,1H3;4-7,9-10H,1-3H3;2-7,9-10H,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum?

4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum has a molecular weight of 2452.55 g/mol, XLogP of 21.86, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylphenyl)-3-(4-fluorobenzene-6-id-1-yl)-5-methyl-1,2,4-triazole;3-(4-fluorobenzene-6-id-1-yl)-5-methyl-4-phenyl-1,2,4-triazole;tris(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-1-yl-1,2,4-triazole;3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-naphthalen-2-yl-1,2,4-triazole;3-methyl-5-(2H-naphthalen-2-id-1-yl)-4-phenyl-1,2,4-triazole;platinum is sourced from PubChem (CID 158943981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).