4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))

C68H53F3IrN11O2Pt2- — CID 160584823

About 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))

4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)) (PubChem CID 160584823) has the molecular formula C68H53F3IrN11O2Pt2- and a molecular weight of 1695.61 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)).

Molecular Properties

• Compound Name: 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))
• PubChem CID: 160584823
• Molecular Formula: C68H53F3IrN11O2Pt2-
• Molecular Weight: 1695.61 g/mol
• Exact Mass: 1695.33
• IUPAC Name: 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))
• SMILES: CC(=O)C=C(C)O.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Pt+2].[Pt+2].[c-]1ccc2ccccc2c1-c1ccccn1
• InChI: InChI=1S/C27H18N4.C21H17F3N6.C15H10N.C5H8O2.Ir.2Pt/c1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-4(6)3-5(2)7;;;/h4-8,11-17H,1-2H3;4-11H,1-3H3;1-8,10-11H;3,6H,1-2H3;;;/q2*-2;-1;;;2*+2
• InChIKey: FKQDQKGWQAUTKU-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 165.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.61
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))?

The IUPAC name of 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)) (CID 160584823) is 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)).

What is the SMILES notation for 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))?

The canonical SMILES for 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)) is CC(=O)C=C(C)O.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Pt+2].[Pt+2].[c-]1ccc2ccccc2c1-c1ccccn1.

What is the InChIKey of 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))?

The InChIKey is FKQDQKGWQAUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4.C21H17F3N6.C15H10N.C5H8O2.Ir.2Pt/c1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-4(6)3-5(2)7;;;/h4-8,11-17H,1-2H3;4-11H,1-3H3;1-8,10-11H;3,6H,1-2H3;;;/q2*-2;-1;;;2*+2.

What are the key properties of 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))?

4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)) has a molecular weight of 1695.61 g/mol, XLogP of 14.99, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+)) is sourced from PubChem (CID 160584823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).