2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine

C84H66F12IrN13Pt2 — CID 158010681

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 158010681) has the molecular formula C84H66F12IrN13Pt2 and a molecular weight of 2067.89 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 158010681
• Molecular Formula: C84H66F12IrN13Pt2
• Molecular Weight: 2067.89 g/mol
• Exact Mass: 2067.43
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.CCc1c(C)[n-]c(-c2cccc(C(C)(C)c3cccc(-c4[n-]c(C)c(CC)c4C)n3)n2)c1C.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Pt+2].[Pt+2]
• InChI: InChI=1S/C29H34N4.C23H12F4N2.C21H14F6N6.C11H6F2N.Ir.2Pt/c1-9-21-17(3)27(30-19(21)5)23-13-11-15-25(32-23)29(7,8)26-16-12-14-24(33-26)28-18(4)22(10-2)20(6)31-28;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;1-19(2,15-7-3-5-11(28-15)13-9-17(32-30-13)20(22,23)24)16-8-4-6-12(29-16)14-10-18(33-31-14)21(25,26)27;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h11-16H,9-10H2,1-8H3;1-8,11-12H,13H2;3-10H,1-2H3;1-4,6-7H;;;/q3*-2;-1;+3;2*+2
• InChIKey: RQUMKVVXFQYXDM-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 172.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2067.89
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 158010681) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1)c1cccc(-c2cc(C(F)(F)F)n[n-]2)n1.CCc1c(C)[n-]c(-c2cccc(C(C)(C)c3cccc(-c4[n-]c(C)c(CC)c4C)n3)n2)c1C.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Pt+2].[Pt+2].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is RQUMKVVXFQYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4.C23H12F4N2.C21H14F6N6.C11H6F2N.Ir.2Pt/c1-9-21-17(3)27(30-19(21)5)23-13-11-15-25(32-23)29(7,8)26-16-12-14-24(33-26)28-18(4)22(10-2)20(6)31-28;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;1-19(2,15-7-3-5-11(28-15)13-9-17(32-30-13)20(22,23)24)16-8-4-6-12(29-16)14-10-18(33-31-14)21(25,26)27;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;/h11-16H,9-10H2,1-8H3;1-8,11-12H,13H2;3-10H,1-2H3;1-4,6-7H;;;/q3*-2;-1;+3;2*+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine?

2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 2067.89 g/mol, XLogP of 19.67, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-6-[2-[6-(4-ethyl-3,5-dimethylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]pyridine;iridium(3+);bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 158010681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).