2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)

C124H116F2Ir4N10O2Si4-8 — CID 160977554

About 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane) (PubChem CID 160977554) has the molecular formula C124H116F2Ir4N10O2Si4-8 and a molecular weight of 2697.57 g/mol. Its IUPAC name is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)
• PubChem CID: 160977554
• Molecular Formula: C124H116F2Ir4N10O2Si4-8
• Molecular Weight: 2697.57 g/mol
• Exact Mass: 2698.69
• IUPAC Name: 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)
• SMILES: Cc1c[c-]c(-c2ccccn2)c(C)n1.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C21H22NOSi.2C19H20NSi.C12H11N2.2C11H8N.C10H5F2N2.4Ir/c2*1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;2*1-14-11-18(20-13-19(14)21(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;1-9-6-7-11(10(2)14-9)12-5-3-4-8-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;/h2*5-8,10-15H,1-4H3;2*5-9,11-13H,1-4H3;3-6,8H,1-2H3;2*1-6,8-9H;1-3,5-6H;;;;/q8*-1
• InChIKey: FBAVIDBRQJMXFN-UHFFFAOYSA-N
• XLogP: 29.37
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2697.57
LogP ≤ 5	29.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)?

The IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane) (CID 160977554) is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane).

What is the SMILES notation for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)?

The canonical SMILES for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane) is Cc1c[c-]c(-c2ccccn2)c(C)n1.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)?

The InChIKey is FBAVIDBRQJMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22NOSi.2C19H20NSi.C12H11N2.2C11H8N.C10H5F2N2.4Ir/c2*1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;2*1-14-11-18(20-13-19(14)21(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;1-9-6-7-11(10(2)14-9)12-5-3-4-8-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;/h2*5-8,10-15H,1-4H3;2*5-9,11-13H,1-4H3;3-6,8H,1-2H3;2*1-6,8-9H;1-3,5-6H;;;;/q8*-1;;;;.

What are the key properties of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane)?

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane) has a molecular weight of 2697.57 g/mol, XLogP of 29.37, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);bis(trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane) is sourced from PubChem (CID 160977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).