bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C119H82F28Ir6N20O10S2-12 — CID 158928174

About bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158928174) has the molecular formula C119H82F28Ir6N20O10S2-12 and a molecular weight of 3701.47 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158928174
• Molecular Formula: C119H82F28Ir6N20O10S2-12
• Molecular Weight: 3701.47 g/mol
• Exact Mass: 3704.34
• IUPAC Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1n[n-]c(-c2ccccn2)c1F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H6F4N.2C12H8F2NO.2C12H9FNO.C12H9FN.C9H5F3N3.2C8H7F3N2O.C8H4F2N3.2C7H6F3N2O2S.6Ir/c1-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;2*8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;;/h2-4H,1H3;2*2,4-7H,1H3;2*2,4-8H,1H3;2,4-8H,1H3;1-5H;2*1-4H,5H2,(H,13,14);1-4H;2*1-4H,5H2;;;;;;/q7*-1;;;3*-1;;;;;;/p-2
• InChIKey: MLSVFWOVSCXDDP-UHFFFAOYSA-L
• XLogP: 28.66
• TPSA: 404.40 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3701.47
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158928174) is bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1n[n-]c(-c2ccccn2)c1F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is MLSVFWOVSCXDDP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H6F4N.2C12H8F2NO.2C12H9FNO.C12H9FN.C9H5F3N3.2C8H7F3N2O.C8H4F2N3.2C7H6F3N2O2S.6Ir/c1-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;2*8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;;/h2-4H,1H3;2*2,4-7H,1H3;2*2,4-8H,1H3;2,4-8H,1H3;1-5H;2*1-4H,5H2,(H,13,14);1-4H;2*1-4H,5H2;;;;;;/q7*-1;;;3*-1;;;;;;/p-2.

What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3701.47 g/mol, XLogP of 28.66, 22 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)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;hexakis(iridium);4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);bis(pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).