bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone

C106H58F28Ir5N22O7S-10 — CID 157441039

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone (PubChem CID 157441039) has the molecular formula C106H58F28Ir5N22O7S-10 and a molecular weight of 3276.87 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone.

Molecular Properties

• Compound Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone
• PubChem CID: 157441039
• Molecular Formula: C106H58F28Ir5N22O7S-10
• Molecular Weight: 3276.87 g/mol
• Exact Mass: 3279.23
• IUPAC Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone
• SMILES: Cc1nc(-c2cc(C(F)(F)F)n[n-]2)oc1C.Cc1nnc(-c2cc(C(F)(F)F)n[n-]2)o1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1cc(-c2nc3ccccc3o2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N#Cc1c[c-]c(-c2ccccn2)cc1.O=C(c1n[n-]c(-c2ccccn2)c1C(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(c1c(C(F)(F)F)n[n-]c1-c1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C12H5F6N3O2.C12H7F3N.C12H7N2.C11H5F3N3O.2C11H6F2N.C11H8N.C10H4F6N3O2S.C9H7F3N3O.C7H4F3N4O.5Ir/c13-11(14,15)9(22)6-7(5-3-1-2-4-19-5)20-21-8(6)10(23)12(16,17)18;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10;2*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;11-9(12,13)8-7(22(20,21)10(14,15)16)6(18-19-8)5-3-1-2-4-17-5;1-4-5(2)16-8(13-4)6-3-7(15-14-6)9(10,11)12;1-3-11-14-6(15-3)4-2-5(13-12-4)7(8,9)10;;;;;/h1-4H,(H,19,20,21,22,23);1-4,6-8H;1-6,8H;1-5H;2*1-4,6-7H;1-6,8-9H;1-4H;3H,1-2H3;2H,1H3;;;;;/q;9*-1;;;;;/p-1
• InChIKey: RFRLBWWLYYWJKG-UHFFFAOYSA-M
• XLogP: 25.79
• TPSA: 408.23 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3276.87
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone?

The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone (CID 157441039) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone.

What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone?

The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone is Cc1nc(-c2cc(C(F)(F)F)n[n-]2)oc1C.Cc1nnc(-c2cc(C(F)(F)F)n[n-]2)o1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1cc(-c2nc3ccccc3o2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N#Cc1c[c-]c(-c2ccccn2)cc1.O=C(c1n[n-]c(-c2ccccn2)c1C(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(c1c(C(F)(F)F)n[n-]c1-c1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone?

The InChIKey is RFRLBWWLYYWJKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H5F6N3O2.C12H7F3N.C12H7N2.C11H5F3N3O.2C11H6F2N.C11H8N.C10H4F6N3O2S.C9H7F3N3O.C7H4F3N4O.5Ir/c13-11(14,15)9(22)6-7(5-3-1-2-4-19-5)20-21-8(6)10(23)12(16,17)18;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;12-11(13,14)9-5-7(16-17-9)10-15-6-3-1-2-4-8(6)18-10;2*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;11-9(12,13)8-7(22(20,21)10(14,15)16)6(18-19-8)5-3-1-2-4-17-5;1-4-5(2)16-8(13-4)6-3-7(15-14-6)9(10,11)12;1-3-11-14-6(15-3)4-2-5(13-12-4)7(8,9)10;;;;;/h1-4H,(H,19,20,21,22,23);1-4,6-8H;1-6,8H;1-5H;2*1-4,6-7H;1-6,8-9H;1-4H;3H,1-2H3;2H,1H3;;;;;/q;9*-1;;;;;/p-1.

What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone?

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone has a molecular weight of 3276.87 g/mol, XLogP of 25.79, 13 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;pentakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;2-[5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)pyrazol-2-id-3-yl]pyridine;2,2,2-trifluoro-1-[5-pyridin-2-yl-3-(2,2,2-trifluoroacetyl)pyrazol-1-id-4-yl]ethanone is sourced from PubChem (CID 157441039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).