pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole

C92H71Ir5N17O2S-10 — CID 159539220

About pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole

pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole (PubChem CID 159539220) has the molecular formula C92H71Ir5N17O2S-10 and a molecular weight of 2439.85 g/mol. Its IUPAC name is pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole
• PubChem CID: 159539220
• Molecular Formula: C92H71Ir5N17O2S-10
• Molecular Weight: 2439.85 g/mol
• Exact Mass: 2442.39
• IUPAC Name: pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole
• SMILES: Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/2C10H9N2.5C9H7N2.2C9H6NO.C9H6NS.5Ir/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;5*1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-6-11-7-10-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;/h2*2-5,7-8H,1H3;5*1-5,7-8H;3*1-4,6-7H;;;;;/q10*-1
• InChIKey: BDUOUXBRKNBDJU-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 189.69 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.85
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole?

The IUPAC name of pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole (CID 159539220) is pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole.

What is the SMILES notation for pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole?

The canonical SMILES for pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole is Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cocn1.[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole?

The InChIKey is BDUOUXBRKNBDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N2.5C9H7N2.2C9H6NO.C9H6NS.5Ir/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-12-8-7-11-10(12)9-5-3-2-4-6-9;5*1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-6-11-7-10-9;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;/h2*2-5,7-8H,1H3;5*1-5,7-8H;3*1-4,6-7H;;;;;/q10*-1;;;;;.

What are the key properties of pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole?

pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole has a molecular weight of 2439.85 g/mol, XLogP of 19.02, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;pentakis(1-phenylpyrazole);2-phenyl-1,3-thiazole is sourced from PubChem (CID 159539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).