2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C138H88F12Ir4N12 — CID 158547588

About 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158547588) has the molecular formula C138H88F12Ir4N12 and a molecular weight of 2911.15 g/mol. Its IUPAC name is 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 158547588
• Molecular Formula: C138H88F12Ir4N12
• Molecular Weight: 2911.15 g/mol
• Exact Mass: 2912.56
• IUPAC Name: 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: Cc1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3C)n2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3C(F)(F)F)n2)cc1.Fc1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)cc(F)c3F)n2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H12F6N2.C24H18N2.C22H10F4N2.C22H14N2.2C12H10N.C11H6F2N.C11H8N.4Ir/c25-23(26,27)17-10-7-15(8-11-17)21-5-3-6-22(32-21)18-14-16(20-4-1-2-13-31-20)9-12-19(18)24(28,29)30;1-17-9-12-19(13-10-17)23-7-5-8-24(26-23)21-16-20(14-11-18(21)2)22-6-3-4-15-25-22;23-16-8-7-13(11-17(16)24)20-5-3-6-21(28-20)15-10-14(12-18(25)22(15)26)19-4-1-2-9-27-19;1-2-8-17(9-3-1)21-13-7-14-22(24-21)19-11-6-10-18(16-19)20-12-4-5-15-23-20;2*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-7,9-13H;3-12,14-15H,1-2H3;1-6,8-9,11-12H;1-8,10-15H;2*2-7,9H,1H3;1-3,5-7H;1-6,8-9H;;;;/q4*-2;4*-1;4*+3
• InChIKey: XFSOXAPLMISCNN-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2911.15
LogP ≤ 5	34.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158547588) is 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is Cc1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3C)n2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3C(F)(F)F)n2)cc1.Fc1c[c-]c(-c2cccc(-c3[c-]c(-c4ccccn4)cc(F)c3F)n2)cc1F.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cccc(-c2[c-]c(-c3ccccn3)ccc2)n1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is XFSOXAPLMISCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N2.C24H18N2.C22H10F4N2.C22H14N2.2C12H10N.C11H6F2N.C11H8N.4Ir/c25-23(26,27)17-10-7-15(8-11-17)21-5-3-6-22(32-21)18-14-16(20-4-1-2-13-31-20)9-12-19(18)24(28,29)30;1-17-9-12-19(13-10-17)23-7-5-8-24(26-23)21-16-20(14-11-18(21)2)22-6-3-4-15-25-22;23-16-8-7-13(11-17(16)24)20-5-3-6-21(28-20)15-10-14(12-18(25)22(15)26)19-4-1-2-9-27-19;1-2-8-17(9-3-1)21-13-7-14-22(24-21)19-11-6-10-18(16-19)20-12-4-5-15-23-20;2*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-7,9-13H;3-12,14-15H,1-2H3;1-6,8-9,11-12H;1-8,10-15H;2*2-7,9H,1H3;1-3,5-7H;1-6,8-9H;;;;/q4*-2;4*-1;4*+3.

What are the key properties of 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2911.15 g/mol, XLogP of 34.60, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-difluorobenzene-6-id-1-yl)-6-(2,3-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium(3+));2-(4-methylbenzene-6-id-1-yl)-6-(2-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-phenylpyridine;2-phenyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[5-pyridin-2-yl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158547588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).