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

C105H102F3Ir3N10O6OsP2- — CID 161271502

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

bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 161271502) has the molecular formula C105H102F3Ir3N10O6OsP2- and a molecular weight of 2485.86 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 161271502
• Molecular Formula: C105H102F3Ir3N10O6OsP2-
• Molecular Weight: 2485.86 g/mol
• Exact Mass: 2488.59
• IUPAC Name: bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;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)nc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C20H14N.C19H13N2.C17H14N.C9H5F3N3.C9H8N3.2C8H11P.3C5H8O2.3Ir.Os/c1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;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;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;;;;/h2-10,12-13H,1H3;1-9,11-14H;3-4,6-11H,1-2H3;1-5H;2-6H,1H3;2*3-7H,1-2H3;3*3,6H,1-2H3;;;;/q5*-1;;;;;;;;;+2/p+2
• InChIKey: GYIQNVFYEKETKU-UHFFFAOYSA-P
• XLogP: 24.18
• TPSA: 235.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.86
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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

The IUPAC name of bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 161271502) is bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;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);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;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)nc2ccccc12.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2ccc3ccc(C)cc3n2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1.

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

The InChIKey is GYIQNVFYEKETKU-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H14N.C19H13N2.C17H14N.C9H5F3N3.C9H8N3.2C8H11P.3C5H8O2.3Ir.Os/c1-14-13-20(21-19-12-5-4-9-16(14)19)18-11-6-8-15-7-2-3-10-17(15)18;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;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;;;;/h2-10,12-13H,1H3;1-9,11-14H;3-4,6-11H,1-2H3;1-5H;2-6H,1H3;2*3-7H,1-2H3;3*3,6H,1-2H3;;;;/q5*-1;;;;;;;;;+2/p+2.

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

bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2485.86 g/mol, XLogP of 24.18, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(phenyl)phosphanium);tris(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;4-methyl-2-(2H-naphthalen-2-id-1-yl)quinoline;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);1-phenyl-2-phenylbenzimidazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 161271502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).