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

C146H114Ir3N16OS-4 — CID 159115156

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

tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (PubChem CID 159115156) has the molecular formula C146H114Ir3N16OS-4 and a molecular weight of 2717.35 g/mol. Its IUPAC name is tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• PubChem CID: 159115156
• Molecular Formula: C146H114Ir3N16OS-4
• Molecular Weight: 2717.35 g/mol
• Exact Mass: 2717.80
• IUPAC Name: tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• SMILES: CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.[Ir+3].[Ir+3].[Ir].[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/3C21H15N2.3C17H15N2.C14H12N2.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*1-13-17(15-9-5-3-6-10-15)14(2)19(18-13)16-11-7-4-8-12-16;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-11H,1-2H3;2-7,9-11H,1H3;2*1-4,6-7H;;;/q6*-1;-2;2*-1;;2*+3
• InChIKey: DAJHLYIQCKJVPD-UHFFFAOYSA-N
• XLogP: 34.83
• TPSA: 152.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2717.35
LogP ≤ 5	34.83
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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (CID 159115156) is tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccccc1.[Ir+3].[Ir+3].[Ir].[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-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

The InChIKey is DAJHLYIQCKJVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H15N2.3C17H15N2.C14H12N2.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*1-13-17(15-9-5-3-6-10-15)14(2)19(18-13)16-11-7-4-8-12-16;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;/h3*1-9,11-16H;3*3-11H,1-2H3;2-7,9-11H,1H3;2*1-4,6-7H;;;/q6*-1;-2;2*-1;;2*+3.

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

tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole has a molecular weight of 2717.35 g/mol, XLogP of 34.83, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is sourced from PubChem (CID 159115156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).