2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid

C124H78F19Ir4N19O4- — CID 158915930

About 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid

2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid (PubChem CID 158915930) has the molecular formula C124H78F19Ir4N19O4- and a molecular weight of 3027.95 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid.

Molecular Properties

• Compound Name: 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid
• PubChem CID: 158915930
• Molecular Formula: C124H78F19Ir4N19O4-
• Molecular Weight: 3027.95 g/mol
• Exact Mass: 3029.47
• IUPAC Name: 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid
• SMILES: CN(C)c1cc(-c2[c-]cc(F)cc2F)nc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]c(-c3cc(N(C)C)ccn3)c(F)cc2F)c1.Cc1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir+3].[Ir]
• InChI: InChI=1S/C20H19F2N4.C19H12F4N2.C17H7F4N.3C16H9F2N2.C13H8F3N5.C7H5NO4.4Ir/c1-25(2)13-5-7-23-19(9-13)15-11-16(18(22)12-17(15)21)20-10-14(26(3)4)6-8-24-20;1-25(2)13-9-18(14-5-3-11(20)7-16(14)22)24-19(10-13)15-6-4-12(21)8-17(15)23;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;3*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;1-7-5-10(19-18-7)8-3-2-4-9(17-8)11-6-12(21-20-11)13(14,15)16;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;/h5-10,12H,1-4H3;3-4,7-10H,1-2H3;1-5,8-9H;3*1-8,10H;2-6H,1H3;1-3H,(H,9,10)(H,11,12);;;;/q-1;2*-2;3*-1;-2;;;3*+3
• InChIKey: RDGWLFUDMLMFPF-UHFFFAOYSA-N
• XLogP: 27.81
• TPSA: 292.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3027.95
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid?

The IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid (CID 158915930) is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid.

What is the SMILES notation for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid?

The canonical SMILES for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid is CN(C)c1cc(-c2[c-]cc(F)cc2F)nc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]c(-c3cc(N(C)C)ccn3)c(F)cc2F)c1.Cc1cc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir+3].[Ir].

What is the InChIKey of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid?

The InChIKey is RDGWLFUDMLMFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N4.C19H12F4N2.C17H7F4N.3C16H9F2N2.C13H8F3N5.C7H5NO4.4Ir/c1-25(2)13-5-7-23-19(9-13)15-11-16(18(22)12-17(15)21)20-10-14(26(3)4)6-8-24-20;1-25(2)13-9-18(14-5-3-11(20)7-16(14)22)24-19(10-13)15-6-4-12(21)8-17(15)23;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;3*17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;1-7-5-10(19-18-7)8-3-2-4-9(17-8)11-6-12(21-20-11)13(14,15)16;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;/h5-10,12H,1-4H3;3-4,7-10H,1-2H3;1-5,8-9H;3*1-8,10H;2-6H,1H3;1-3H,(H,9,10)(H,11,12);;;;/q-1;2*-2;3*-1;-2;;;3*+3.

What are the key properties of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid?

2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid has a molecular weight of 3027.95 g/mol, XLogP of 27.81, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2-[5-[4-(dimethylamino)-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;iridium;tris(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 158915930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).