2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole

C73H64F2Ir3N16O4S-6 — CID 157086834

About 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole

2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole (PubChem CID 157086834) has the molecular formula C73H64F2Ir3N16O4S-6 and a molecular weight of 1876.14 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole
• PubChem CID: 157086834
• Molecular Formula: C73H64F2Ir3N16O4S-6
• Molecular Weight: 1876.14 g/mol
• Exact Mass: 1877.39
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole
• SMILES: COc1c[c-]c(-c2nccn2C)c(OC)c1.COc1c[c-]c(-n2nccc2C)c(OC)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-n1[c-]ccc1-c1ccccc1.Cn1cnc(-n2[c-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[c-]1cnc(-c2ccccc2)n1-c1nccs1
• InChI: InChI=1S/C14H12N3.C13H11N4.C12H8N3S.2C12H13N2O2.C10H7F2N2.3Ir/c1-16-11-9-15-14(16)17-10-5-8-13(17)12-6-3-2-4-7-12;1-16-8-13(15-10-16)17-9-14-7-12(17)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-9-6-7-13-14(9)11-5-4-10(15-2)8-12(11)16-3;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;;;/h2-9,11H,1H3;2-8,10H,1H3;1-7,9H;2*4,6-8H,1-3H3;2,4-6H,1H3;;;/q6*-1
• InChIKey: CEFZASATTRDFKQ-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 179.48 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.14
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole (CID 157086834) is 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole is COc1c[c-]c(-c2nccn2C)c(OC)c1.COc1c[c-]c(-n2nccc2C)c(OC)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-n1[c-]ccc1-c1ccccc1.Cn1cnc(-n2[c-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[c-]1cnc(-c2ccccc2)n1-c1nccs1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole?

The InChIKey is CEFZASATTRDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C13H11N4.C12H8N3S.2C12H13N2O2.C10H7F2N2.3Ir/c1-16-11-9-15-14(16)17-10-5-8-13(17)12-6-3-2-4-7-12;1-16-8-13(15-10-16)17-9-14-7-12(17)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-13-6-8-15(11)12-14-7-9-16-12;1-14-7-6-13-12(14)10-5-4-9(15-2)8-11(10)16-3;1-9-6-7-13-14(9)11-5-4-10(15-2)8-12(11)16-3;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;;;/h2-9,11H,1H3;2-8,10H,1H3;1-7,9H;2*4,6-8H,1-3H3;2,4-6H,1H3;;;/q6*-1;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole?

2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole has a molecular weight of 1876.14 g/mol, XLogP of 13.61, 13 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;tris(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole is sourced from PubChem (CID 157086834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).