tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)

C78H54F8Ir3N7O6Pt2-5 — CID 157087191

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid) (PubChem CID 157087191) has the molecular formula C78H54F8Ir3N7O6Pt2-5 and a molecular weight of 2304.12 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)
• PubChem CID: 157087191
• Molecular Formula: C78H54F8Ir3N7O6Pt2-5
• Molecular Weight: 2304.12 g/mol
• Exact Mass: 2305.22
• IUPAC Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)
• SMILES: CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccc(-c2cc(F)c[c-]c2-c2ccccn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C17H10F2N.3C11H6F2N.C11H8N.2C6H5NO2.C5H8O2.3Ir.2Pt/c18-13-6-4-12(5-7-13)16-11-14(19)8-9-15(16)17-3-1-2-10-20-17;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;/h1-8,10-11H;3*1-4,6-7H;1-6,8-9H;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;/q5*-1
• InChIKey: LSCNPSHXYZMYCL-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 202.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.12
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)?

The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid) (CID 157087191) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid) is CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccc(-c2cc(F)c[c-]c2-c2ccccn2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)?

The InChIKey is LSCNPSHXYZMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N.3C11H6F2N.C11H8N.2C6H5NO2.C5H8O2.3Ir.2Pt/c18-13-6-4-12(5-7-13)16-11-14(19)8-9-15(16)17-3-1-2-10-20-17;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;/h1-8,10-11H;3*1-4,6-7H;1-6,8-9H;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;/q5*-1;;;;;;;;.

What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid)?

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid) has a molecular weight of 2304.12 g/mol, XLogP of 18.11, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 157087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).