2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)

C89H68F5Ir3N8O2Pt-3 — CID 158741165

About 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)

2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+) (PubChem CID 158741165) has the molecular formula C89H68F5Ir3N8O2Pt-3 and a molecular weight of 2148.30 g/mol. Its IUPAC name is 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+).

Molecular Properties

• Compound Name: 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)
• PubChem CID: 158741165
• Molecular Formula: C89H68F5Ir3N8O2Pt-3
• Molecular Weight: 2148.30 g/mol
• Exact Mass: 2149.39
• IUPAC Name: 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)
• SMILES: CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.Cc1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[Ir].[Ir].[Pt+2]
• InChI: InChI=1S/C22H14F5N5.2C22H16N.C18H14N.C5H8O2.3Ir.Pt/c1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;2*1-16-14-19-10-5-6-13-21(19)23-22(16)20-12-7-11-18(15-20)17-8-3-2-4-9-17;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-4(6)3-5(2)7;;;;/h3-8,10-11H,1-2H3;2*2-11,13-15H,1H3;2-8,10-13H,1H3;3,6H,1-2H3;;;;/q-2;3*-1;;;;;+2
• InChIKey: FDYFPMHKNFBFNK-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 132.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2148.30
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)?

The IUPAC name of 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+) (CID 158741165) is 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+).

What is the SMILES notation for 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)?

The canonical SMILES for 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+) is CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.Cc1cc2ccccc2nc1-c1[c-]ccc(-c2ccccc2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[Ir].[Ir].[Pt+2].

What is the InChIKey of 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)?

The InChIKey is FDYFPMHKNFBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N5.2C22H16N.C18H14N.C5H8O2.3Ir.Pt/c1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;2*1-16-14-19-10-5-6-13-21(19)23-22(16)20-12-7-11-18(15-20)17-8-3-2-4-9-17;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-4(6)3-5(2)7;;;;/h3-8,10-11H,1-2H3;2*2-11,13-15H,1H3;2-8,10-13H,1H3;3,6H,1-2H3;;;;/q-2;3*-1;;;;;+2.

What are the key properties of 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)?

2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+) has a molecular weight of 2148.30 g/mol, XLogP of 21.85, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+) is sourced from PubChem (CID 158741165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).