tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)

C146H111F22Ir8N24O10-8 — CID 159525328

About tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)

tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid) (PubChem CID 159525328) has the molecular formula C146H111F22Ir8N24O10-8 and a molecular weight of 4317.34 g/mol. Its IUPAC name is tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)
• PubChem CID: 159525328
• Molecular Formula: C146H111F22Ir8N24O10-8
• Molecular Weight: 4317.34 g/mol
• Exact Mass: 4321.56
• IUPAC Name: tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H10F2N3.2C12H8F2NO.3C11H7F2N2.C11H6F2N.C11H20O2.C10H5F2N2.3C9H5F2N2.C6H8N2O2.2C6H5NO2.8Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;2*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;3*1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-4-3-5(6(9)10)7-8(4)2;2*8-6(9)5-3-1-2-4-7-5;;;;;;;;/h4-7H,1-2H3;2*1,3-6,16H,7H2;3*3-6H,1H3;1-4,6-7H;7,12H,1-6H3;1-3,5-6H;3*1-2,4-6H;3H,1-2H3,(H,9,10);2*1-4H,(H,8,9);;;;;;;;/q7*-1;;4*-1;;;;;;;;;;;+3
• InChIKey: RNBUFSFEPBDFCB-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 457.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4317.34
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)?

The IUPAC name of tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid) (CID 159525328) is tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid).

What is the SMILES notation for tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)?

The canonical SMILES for tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid) is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CN(C)c1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1cc(C(=O)O)nn1C.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)?

The InChIKey is RNBUFSFEPBDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N3.2C12H8F2NO.3C11H7F2N2.C11H6F2N.C11H20O2.C10H5F2N2.3C9H5F2N2.C6H8N2O2.2C6H5NO2.8Ir/c1-17(2)8-5-6-15-10(7-8)9-3-4-11(13)16-12(9)14;2*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;3*1-7-4-5-14-9(6-7)8-2-3-10(12)15-11(8)13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-4-3-5(6(9)10)7-8(4)2;2*8-6(9)5-3-1-2-4-7-5;;;;;;;;/h4-7H,1-2H3;2*1,3-6,16H,7H2;3*3-6H,1H3;1-4,6-7H;7,12H,1-6H3;1-3,5-6H;3*1-2,4-6H;3H,1-2H3,(H,9,10);2*1-4H,(H,8,9);;;;;;;;/q7*-1;;4*-1;;;;;;;;;;;+3.

What are the key properties of tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid)?

tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid) has a molecular weight of 4317.34 g/mol, XLogP of 30.47, 18 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);tris(2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-N,N-dimethylpyridin-4-amine;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1,5-dimethylpyrazole-3-carboxylic acid;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159525328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).