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

C94H78Ir4N21O3PtS-5 — CID 159404044

About 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)

4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+) (PubChem CID 159404044) has the molecular formula C94H78Ir4N21O3PtS-5 and a molecular weight of 2545.81 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+).

Molecular Properties

• Compound Name: 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)
• PubChem CID: 159404044
• Molecular Formula: C94H78Ir4N21O3PtS-5
• Molecular Weight: 2545.81 g/mol
• Exact Mass: 2547.45
• IUPAC Name: 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)
• SMILES: CC(=O)C=C(C)O.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-n2[c-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccc(-c2ccccc2)n1-c1cscn1.[c-]1ccccc1-n1nccc1-c1ccccc1.[c-]1cnc(-c2ccccc2)n1-c1cocn1
• InChI: InChI=1S/C15H11N2.3C13H11N4.C13H9N2S.C12H8N3O.C10H9N2.C5H8O2.4Ir.Pt/c1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14;1-16-8-13(15-10-16)17-9-14-7-12(17)11-5-3-2-4-6-11;2*1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;1-2-5-11(6-3-1)12-7-4-8-15(12)13-9-16-10-14-13;1-2-4-10(5-3-1)12-13-6-7-15(12)11-8-16-9-14-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h1-9,11-12H;2-8,10H,1H3;2*2-9H,1H3;1-7,9-10H;1-6,8-9H;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q7*-1;;;;;;+2
• InChIKey: WAZGFAWNLUTSRO-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 241.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2545.81
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

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

The IUPAC name of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+) (CID 159404044) is 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+).

What is the SMILES notation for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)?

The canonical SMILES for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+) is CC(=O)C=C(C)O.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccc(-n2[c-]ncc2-c2ccccc2)n1.Cn1ccnc1-c1[c-]cccc1.Cn1cnc(-n2[c-]ncc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccc(-c2ccccc2)n1-c1cscn1.[c-]1ccccc1-n1nccc1-c1ccccc1.[c-]1cnc(-c2ccccc2)n1-c1cocn1.

What is the InChIKey of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)?

The InChIKey is WAZGFAWNLUTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.3C13H11N4.C13H9N2S.C12H8N3O.C10H9N2.C5H8O2.4Ir.Pt/c1-3-7-13(8-4-1)15-11-12-16-17(15)14-9-5-2-6-10-14;1-16-8-13(15-10-16)17-9-14-7-12(17)11-5-3-2-4-6-11;2*1-16-8-7-13(15-16)17-10-14-9-12(17)11-5-3-2-4-6-11;1-2-5-11(6-3-1)12-7-4-8-15(12)13-9-16-10-14-13;1-2-4-10(5-3-1)12-13-6-7-15(12)11-8-16-9-14-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h1-9,11-12H;2-8,10H,1H3;2*2-9H,1H3;1-7,9-10H;1-6,8-9H;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q7*-1;;;;;;+2.

What are the key properties of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)?

4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+) has a molecular weight of 2545.81 g/mol, XLogP of 18.20, 14 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide;1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+) is sourced from PubChem (CID 159404044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).