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

C142H132F3Ir6N12O6OsP2-5 — CID 161445494

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

bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 161445494) has the molecular formula C142H132F3Ir6N12O6OsP2-5 and a molecular weight of 3565.17 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 161445494
• Molecular Formula: C142H132F3Ir6N12O6OsP2-5
• Molecular Weight: 3565.17 g/mol
• Exact Mass: 3569.72
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2[c-]ccc3ccccc23)[c-]c2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C21H14.C19H13N2.C17H14N.C13H12N.C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.3C5H8O2.6Ir.Os/c1-15-13-18(14-17-8-3-4-10-19(15)17)21-12-6-9-16-7-2-5-11-20(16)21;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;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;3*1-4(6)3-5(2)7;;;;;;;/h2-11,13H,1H3;1-9,11-14H;3-4,6-11H,1-2H3;3-4,6-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3*3,6H,1-2H3;;;;;;;/q-2;7*-1;;;;;;;;;;;;+2/p+2
• InChIKey: SMBCOKRCOMETMD-UHFFFAOYSA-P
• XLogP: 33.15
• TPSA: 261.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3565.17
LogP ≤ 5	33.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 161445494) is bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

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

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2[c-]ccc3ccccc23)[c-]c2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.

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

The InChIKey is SMBCOKRCOMETMD-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H14.C19H13N2.C17H14N.C13H12N.C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.3C5H8O2.6Ir.Os/c1-15-13-18(14-17-8-3-4-10-19(15)17)21-12-6-9-16-7-2-5-11-20(16)21;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;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;3*1-4(6)3-5(2)7;;;;;;;/h2-11,13H,1H3;1-9,11-14H;3-4,6-11H,1-2H3;3-4,6-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;3*3,6H,1-2H3;;;;;;;/q-2;7*-1;;;;;;;;;;;;+2/p+2.

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

bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3565.17 g/mol, XLogP of 33.15, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);hexakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)-1H-naphthalen-1-ide;3-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 161445494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).