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

C97H87Ir3N24O4Pt3S-5 — CID 157290711

About bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole

bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (PubChem CID 157290711) has the molecular formula C97H87Ir3N24O4Pt3S-5 and a molecular weight of 2846.88 g/mol. Its IUPAC name is bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole
• PubChem CID: 157290711
• Molecular Formula: C97H87Ir3N24O4Pt3S-5
• Molecular Weight: 2846.88 g/mol
• Exact Mass: 2847.49
• IUPAC Name: bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;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.CC(=O)C=C(C)O.Cn1ccc(-c2[n-]ccc2-c2ccccc2)n1.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1cnc(-c2[n-]ccc2-c2ccccc2)c1.Cn1cnc(-c2[n-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Pt+2].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1ncc(-c2cccnc2)n1-c1nccs1
• InChI: InChI=1S/2C14H12N3.3C13H11N4.C11H7N4S.C9H7N2.2C5H8O2.3Ir.3Pt/c1-17-10-8-13(16-17)14-12(7-9-15-14)11-5-3-2-4-6-11;1-17-9-13(16-10-17)14-12(7-8-15-14)11-5-3-2-4-6-11;1-17-8-12(14-9-17)13-11(7-15-16-13)10-5-3-2-4-6-10;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;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-4(6)3-5(2)7;;;;;;/h2*2-10H,1H3;3*2-9H,1H3;1-7H;1-5,7-8H;2*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;+2
• InChIKey: ITPUEXNBJPHKEX-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 315.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2846.88
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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

The IUPAC name of bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole (CID 157290711) is bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;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 bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?

The canonical SMILES for bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;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.CC(=O)C=C(C)O.Cn1ccc(-c2[n-]ccc2-c2ccccc2)n1.Cn1ccc(-n2[c-]cnc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1cnc(-c2[n-]ccc2-c2ccccc2)c1.Cn1cnc(-c2[n-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Pt+2].[Pt].[Pt].[c-]1ccccc1-n1cccn1.[c-]1ncc(-c2cccnc2)n1-c1nccs1.

What is the InChIKey of bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?

The InChIKey is ITPUEXNBJPHKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N3.3C13H11N4.C11H7N4S.C9H7N2.2C5H8O2.3Ir.3Pt/c1-17-10-8-13(16-17)14-12(7-9-15-14)11-5-3-2-4-6-11;1-17-9-13(16-10-17)14-12(7-8-15-14)11-5-3-2-4-6-11;1-17-8-12(14-9-17)13-11(7-15-16-13)10-5-3-2-4-6-10;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;1-2-9(6-12-3-1)10-7-13-8-15(10)11-14-4-5-16-11;1-2-5-9(6-3-1)11-8-4-7-10-11;2*1-4(6)3-5(2)7;;;;;;/h2*2-10H,1H3;3*2-9H,1H3;1-7H;1-5,7-8H;2*3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;+2.

What are the key properties of bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole?

bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole has a molecular weight of 2846.88 g/mol, XLogP of 17.60, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-hydroxypent-3-en-2-one);tris(iridium);5-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide;1-methyl-4-(3-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-3-(3-phenylpyrrol-1-id-2-yl)pyrazole;1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide;3-(1-methylpyrazol-3-yl)-2-phenyl-4H-imidazol-4-ide;1-phenylpyrazole;platinum;platinum(2+);2-(5-pyridin-3-yl-2H-imidazol-2-id-1-yl)-1,3-thiazole is sourced from PubChem (CID 157290711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).