tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole

C124H99Ir3N16OS — CID 158462212

About tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole

tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (PubChem CID 158462212) has the molecular formula C124H99Ir3N16OS and a molecular weight of 2437.98 g/mol. Its IUPAC name is tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• PubChem CID: 158462212
• Molecular Formula: C124H99Ir3N16OS
• Molecular Weight: 2437.98 g/mol
• Exact Mass: 2438.68
• IUPAC Name: tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• SMILES: Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Ir/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3
• InChIKey: WKXYKHAYYYSEEN-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 163.66 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2437.98
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

The IUPAC name of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (CID 158462212) is tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole.

What is the SMILES notation for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

The canonical SMILES for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

The InChIKey is WKXYKHAYYYSEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H15N2.3C11H11N2.C10H9N2.C9H6NO.C9H6NS.3Ir/c3*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;3*1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-6,8H,1-2H3;2-5,7-8H,1H3;2*1-4,6-7H;;;/q9*-1;3*+3.

What are the key properties of tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole has a molecular weight of 2437.98 g/mol, XLogP of 28.52, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is sourced from PubChem (CID 158462212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).