4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride

C151H124F18Ir4N20P-5 — CID 162133491

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride (PubChem CID 162133491) has the molecular formula C151H124F18Ir4N20P-5 and a molecular weight of 3360.60 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride
• PubChem CID: 162133491
• Molecular Formula: C151H124F18Ir4N20P-5
• Molecular Weight: 3360.60 g/mol
• Exact Mass: 3361.83
• IUPAC Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride
• SMILES: C.C.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1ccc(-c2[c-]cc(F)cc2F)nc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FP(F)(F)(F)F.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cnc(-c2ccccn2)c(F)c1.[F-].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C22H17N3.C18H24N2.C12H5F5N.C12H8F2N.C12H9FN.C11H6F2N.C10H6F2N2.3C10H8N2.2CH4.F5P.FH.4Ir/c2*1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;1-6(2,3,4)5;;;;;/h2*2-15H,1H3;7-12H,1-6H3;1-2,4-6H;2-3,5-7H,1H3;2-5,7-8H,1H3;1-4,6-7H;1-6H;3*1-8H;2*1H4;;1H;;;;/q;;;4*-1;;;;;;;;;;;;/p-1
• InChIKey: KVUCSFTUWTZKGG-UHFFFAOYSA-M
• XLogP: 37.99
• TPSA: 257.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3360.60
LogP ≤ 5	37.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride?

The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride (CID 162133491) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride.

What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride?

The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride is C.C.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1c[c-]c(-c2ccccn2)c(F)c1.Cc1ccc(-c2[c-]cc(F)cc2F)nc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.FP(F)(F)(F)F.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1cnc(-c2ccccn2)c(F)c1.[F-].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride?

The InChIKey is KVUCSFTUWTZKGG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C22H17N3.C18H24N2.C12H5F5N.C12H8F2N.C12H9FN.C11H6F2N.C10H6F2N2.3C10H8N2.2CH4.F5P.FH.4Ir/c2*1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-7-5-8(12)10(14-6-7)9-3-1-2-4-13-9;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;1-6(2,3,4)5;;;;;/h2*2-15H,1H3;7-12H,1-6H3;1-2,4-6H;2-3,5-7H,1H3;2-5,7-8H,1H3;1-4,6-7H;1-6H;3*1-8H;2*1H4;;1H;;;;/q;;;4*-1;;;;;;;;;;;;/p-1.

What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride?

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride has a molecular weight of 3360.60 g/mol, XLogP of 37.99, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);methane;bis(4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine);pentafluoro-λ5-phosphane;tris(2-pyridin-2-ylpyridine);fluoride is sourced from PubChem (CID 162133491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).