bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C104H99F3Ir5N11O2OsP2-3 — CID 159471269

About bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159471269) has the molecular formula C104H99F3Ir5N11O2OsP2-3 and a molecular weight of 2805.27 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159471269
• Molecular Formula: C104H99F3Ir5N11O2OsP2-3
• Molecular Weight: 2805.27 g/mol
• Exact Mass: 2809.52
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C17H14N.C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.5Ir.Os/c1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;/h3-4,6-11H,1-2H3;3-6,8-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;+2/p+2
• InChIKey: CBHQDVORTZJNRI-UHFFFAOYSA-P
• XLogP: 23.87
• TPSA: 181.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2805.27
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159471269) is bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.Cc1cnc(-c2[c-]cccc2)c(C)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is CBHQDVORTZJNRI-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H14N.C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.5Ir.Os/c1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;/h3-4,6-11H,1-2H3;3-6,8-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;/q7*-1;;;;;;;;;+2/p+2.

What are the key properties of bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2805.27 g/mol, XLogP of 23.87, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);3,5-dimethyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).