2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole

C111H92F2Ir2N27O4Pt4S3-7 — CID 158367070

About 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole

2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (PubChem CID 158367070) has the molecular formula C111H92F2Ir2N27O4Pt4S3-7 and a molecular weight of 3167.08 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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
• PubChem CID: 158367070
• Molecular Formula: C111H92F2Ir2N27O4Pt4S3-7
• Molecular Weight: 3167.08 g/mol
• Exact Mass: 3166.48
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
• SMILES: CC(=O)C=C(C)O.COc1c[c-]c(-c2nccn2C)c(OC)c1.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-n1[c-]ccc1-c1ccccc1.[Ir].[Ir].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1ncc(-c2cccnc2)n1-c1nccs1
• InChI: InChI=1S/C14H12N3.2C13H11N4.2C12H8N3S.C12H13N2O2.C11H7N4S.C10H7F2N2.C9H7N2.C5H8O2.2Ir.4Pt/c1-16-11-9-15-14(16)17-10-5-8-13(17)12-6-3-2-4-7-12;1-16-9-7-12(15-16)17-10-8-14-13(17)11-5-3-2-4-6-11;1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;2*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;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;;;/h2-9,11H,1H3;2*2-9H,1H3;2*1-7,9H;4,6-8H,1-3H3;1-7H;2,4-6H,1H3;1-5,7-8H;3,6H,1-2H3;;;;;;/q9*-1;;;;;;;+2
• InChIKey: ZISKOVKGHQOEGM-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 308.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3167.08
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (CID 158367070) is 2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole is CC(=O)C=C(C)O.COc1c[c-]c(-c2nccn2C)c(OC)c1.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-n1[c-]ccc1-c1ccccc1.[Ir].[Ir].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1cnc(-c2ccccc2)n1-c1nccs1.[c-]1ncc(-c2cccnc2)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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?

The InChIKey is ZISKOVKGHQOEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.2C13H11N4.2C12H8N3S.C12H13N2O2.C11H7N4S.C10H7F2N2.C9H7N2.C5H8O2.2Ir.4Pt/c1-16-11-9-15-14(16)17-10-5-8-13(17)12-6-3-2-4-7-12;1-16-9-7-12(15-16)17-10-8-14-13(17)11-5-3-2-4-6-11;1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;2*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;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;;;;;;/h2-9,11H,1H3;2*2-9H,1H3;2*1-7,9H;4,6-8H,1-3H3;1-7H;2,4-6H,1H3;1-5,7-8H;3,6H,1-2H3;;;;;;/q9*-1;;;;;;;+2.

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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?

2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole has a molecular weight of 3167.08 g/mol, XLogP of 21.37, 18 rotatable bonds, 1 hydrogen bond donors, and 34 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;4-hydroxypent-3-en-2-one;bis(iridium);1-methyl-2-(5-phenyl-2H-pyrrol-2-id-1-yl)imidazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;bis(2-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-thiazole);1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole is sourced from PubChem (CID 158367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).