2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole

C74H54Ir6N20O2S3-6 — CID 158161685

About 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole

2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole (PubChem CID 158161685) has the molecular formula C74H54Ir6N20O2S3-6 and a molecular weight of 2504.89 g/mol. Its IUPAC name is 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole
• PubChem CID: 158161685
• Molecular Formula: C74H54Ir6N20O2S3-6
• Molecular Weight: 2504.89 g/mol
• Exact Mass: 2508.17
• IUPAC Name: 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole
• SMILES: Cc1cnccc1-c1cnc(-c2[c-]ncs2)n1C.Cn1cnc(-n2[c-]ccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccncc2)n1-c1cocn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1cncn1-c1ncc(-c2ccccc2)o1.[c-]1ncc(-c2cccnc2)n1-c1nccs1
• InChI: InChI=1S/C14H12N3.C13H11N4S.2C12H8N3O.C12H8N3S.C11H7N4S.6Ir/c1-16-10-14(15-11-16)17-9-5-8-13(17)12-6-3-2-4-7-12;1-9-5-14-4-3-10(9)11-6-16-13(17(11)2)12-7-15-8-18-12;1-2-11(10-3-5-13-6-4-10)15(7-1)12-8-16-9-14-12;1-2-4-10(5-3-1)11-8-14-12(16-11)15-7-6-13-9-15;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;;;;;;/h2-8,10-11H,1H3;3-6,8H,1-2H3;2*1-6,8-9H;1-7,9H;1-7H;;;;;;/q6*-1
• InChIKey: VCSLEINAXSZSTK-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 228.36 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.89
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole?

The IUPAC name of 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole (CID 158161685) is 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole.

What is the SMILES notation for 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole?

The canonical SMILES for 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole is Cc1cnccc1-c1cnc(-c2[c-]ncs2)n1C.Cn1cnc(-n2[c-]ccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccncc2)n1-c1cocn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1cncn1-c1ncc(-c2ccccc2)o1.[c-]1ncc(-c2cccnc2)n1-c1nccs1.

What is the InChIKey of 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole?

The InChIKey is VCSLEINAXSZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C13H11N4S.2C12H8N3O.C12H8N3S.C11H7N4S.6Ir/c1-16-10-14(15-11-16)17-9-5-8-13(17)12-6-3-2-4-7-12;1-9-5-14-4-3-10(9)11-6-16-13(17(11)2)12-7-15-8-18-12;1-2-11(10-3-5-13-6-4-10)15(7-1)12-8-16-9-14-12;1-2-4-10(5-3-1)11-8-14-12(16-11)15-7-6-13-9-15;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;;;;;;/h2-8,10-11H,1H3;3-6,8H,1-2H3;2*1-6,8-9H;1-7,9H;1-7H;;;;;;/q6*-1;;;;;;.

What are the key properties of 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole?

2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole has a molecular weight of 2504.89 g/mol, XLogP of 15.02, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4H-imidazol-4-id-3-yl)-5-phenyl-1,3-oxazole;hexakis(iridium);5-[1-methyl-5-(3-methyl-4-pyridinyl)imidazol-2-yl]-4H-1,3-thiazol-4-ide;1-methyl-4-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole;2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(5-pyridin-4-yl-2H-pyrrol-2-id-1-yl)-1,3-oxazole is sourced from PubChem (CID 158161685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).