tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole

C86H62Ir4N6O2S-4 — CID 158702223

About tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole

tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole (PubChem CID 158702223) has the molecular formula C86H62Ir4N6O2S-4 and a molecular weight of 2012.42 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole.

Molecular Properties

• Compound Name: tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole
• PubChem CID: 158702223
• Molecular Formula: C86H62Ir4N6O2S-4
• Molecular Weight: 2012.42 g/mol
• Exact Mass: 2014.32
• IUPAC Name: tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole
• SMILES: Cc1nc(-c2[c-]cccc2)oc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)sc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2[c-]cccc2)nnc1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1
• InChI: InChI=1S/C22H16NO.C22H16NS.C21H16N3.C21H14NO.4Ir/c2*1-16-21(24-22(23-16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-24-20(18-10-6-3-7-11-18)22-23-21(24)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;;;;/h3*2-10,12-15H,1H3;1-9,11-15H;;;;/q4*-1
• InChIKey: INNHDUJLLSWPIZ-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 95.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2012.42
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole?

The IUPAC name of tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole (CID 158702223) is tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole.

What is the SMILES notation for tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole?

The canonical SMILES for tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole is Cc1nc(-c2[c-]cccc2)oc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)sc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2[c-]cccc2)nnc1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)on1.

What is the InChIKey of tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole?

The InChIKey is INNHDUJLLSWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16NO.C22H16NS.C21H16N3.C21H14NO.4Ir/c2*1-16-21(24-22(23-16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-24-20(18-10-6-3-7-11-18)22-23-21(24)19-14-12-17(13-15-19)16-8-4-2-5-9-16;1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-15-20(22-23-21)18-9-5-2-6-10-18;;;;/h3*2-10,12-15H,1H3;1-9,11-15H;;;;/q4*-1;;;;.

What are the key properties of tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole?

tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole has a molecular weight of 2012.42 g/mol, XLogP of 22.12, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole;4-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole is sourced from PubChem (CID 158702223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).