bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole

C106H80Ir2N10OS — CID 157411524

About bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole

bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (PubChem CID 157411524) has the molecular formula C106H80Ir2N10OS and a molecular weight of 1926.38 g/mol. Its IUPAC name is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• PubChem CID: 157411524
• Molecular Formula: C106H80Ir2N10OS
• Molecular Weight: 1926.38 g/mol
• Exact Mass: 1926.55
• IUPAC Name: bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
• SMILES: Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/2C23H19N2.2C21H15N2.C9H6NO.C9H6NS.2Ir/c2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*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;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*3-11,13-16H,1-2H3;2*1-9,11-16H;2*1-4,6-7H;;/q6*-1;2*+3
• InChIKey: SSUCVCMQBZJTLD-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.38
LogP ≤ 5	26.01
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 bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole?

The IUPAC name of bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole (CID 157411524) is bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole.

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

The canonical SMILES for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir+3].[Ir+3].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

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

The InChIKey is SSUCVCMQBZJTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N2.2C21H15N2.C9H6NO.C9H6NS.2Ir/c2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*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;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2*3-11,13-16H,1-2H3;2*1-9,11-16H;2*1-4,6-7H;;/q6*-1;2*+3.

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

bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole has a molecular weight of 1926.38 g/mol, XLogP of 26.01, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(iridium(3+));2-phenyl-1,3-oxazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole is sourced from PubChem (CID 157411524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).