2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

C123H76F25Ir6N31O3-12 — CID 161071739

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (PubChem CID 161071739) has the molecular formula C123H76F25Ir6N31O3-12 and a molecular weight of 3664.43 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• PubChem CID: 161071739
• Molecular Formula: C123H76F25Ir6N31O3-12
• Molecular Weight: 3664.43 g/mol
• Exact Mass: 3667.42
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C13H11F2N2.C13H9N4.3C12H8F2NO.2C11H6F2N.4C8H4F3N4.C7H4FN4.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;;/h3,5-8H,1-2H3;1-9H;3*2,4-7H,1H3;2*1-4,6-7H;4*1-4H;1-4H;;;;;;/q12*-1
• InChIKey: XZHRMUKTVHAGIN-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 424.89 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3664.43
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (CID 161071739) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The InChIKey is XZHRMUKTVHAGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C13H9N4.3C12H8F2NO.2C11H6F2N.4C8H4F3N4.C7H4FN4.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;;/h3,5-8H,1-2H3;1-9H;3*2,4-7H,1H3;2*1-4,6-7H;4*1-4H;1-4H;;;;;;/q12*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) has a molecular weight of 3664.43 g/mol, XLogP of 25.89, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is sourced from PubChem (CID 161071739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).