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

C89H68Ir4N6OS-4 — CID 157177756

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

1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole (PubChem CID 157177756) has the molecular formula C89H68Ir4N6OS-4 and a molecular weight of 2038.50 g/mol. Its IUPAC name is 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole
• PubChem CID: 157177756
• Molecular Formula: C89H68Ir4N6OS-4
• Molecular Weight: 2038.50 g/mol
• Exact Mass: 2040.37
• IUPAC Name: 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole
• SMILES: Cc1nc(-c2[c-]cccc2)n(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)oc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)sc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H19N2.C22H17N2.C22H16NO.C22H16NS.4Ir/c1-17-22(25(2)23(24-17)21-11-7-4-8-12-21)20-15-13-19(14-16-20)18-9-5-3-6-10-18;1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*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;;;;/h3-11,13-16H,1-2H3;2-10,12-16H,1H3;2*2-10,12-15H,1H3;;;;/q4*-1
• InChIKey: JVVPPWHWKSRQGC-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 74.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2038.50
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole (CID 157177756) is 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole.

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

The canonical SMILES for 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole is Cc1nc(-c2[c-]cccc2)n(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)oc1-c1ccc(-c2ccccc2)cc1.Cc1nc(-c2[c-]cccc2)sc1-c1ccc(-c2ccccc2)cc1.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is JVVPPWHWKSRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2.C22H17N2.C22H16NO.C22H16NS.4Ir/c1-17-22(25(2)23(24-17)21-11-7-4-8-12-21)20-15-13-19(14-16-20)18-9-5-3-6-10-18;1-24-21(16-23-22(24)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;2*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;;;;/h3-11,13-16H,1-2H3;2-10,12-16H,1H3;2*2-10,12-15H,1H3;;;;/q4*-1;;;;.

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

1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole has a molecular weight of 2038.50 g/mol, XLogP of 22.78, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-phenyl-5-(4-phenylphenyl)imidazole;tetrakis(iridium);1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-5-(4-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 157177756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).