2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide

C77H61F2Ir5N12-4 — CID 158359208

About 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide (PubChem CID 158359208) has the molecular formula C77H61F2Ir5N12-4 and a molecular weight of 2153.50 g/mol. Its IUPAC name is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
• PubChem CID: 158359208
• Molecular Formula: C77H61F2Ir5N12-4
• Molecular Weight: 2153.50 g/mol
• Exact Mass: 2156.33
• IUPAC Name: 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
• SMILES: Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1
• InChI: InChI=1S/C17H15N2.C15H12N2.C15H11N2.C10H5F2N2.2C10H9N2.5Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h3-9,11-12H,1-2H3;1-9,11-13H;1-7,9-12H;1-3,5-6H;2*2-5,7-8H,1H3;;;;;/q-1;-2;4*-1;;;;;+3
• InChIKey: OXFNNWVRAKDVCC-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 103.54 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.50
LogP ≤ 5	16.68
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'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide (CID 158359208) is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide.

What is the SMILES notation for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The canonical SMILES for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide is Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.

What is the InChIKey of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The InChIKey is OXFNNWVRAKDVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2.C15H12N2.C15H11N2.C10H5F2N2.2C10H9N2.5Ir/c1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;/h3-9,11-12H,1-2H3;1-9,11-13H;1-7,9-12H;1-3,5-6H;2*2-5,7-8H,1H3;;;;;/q-1;-2;4*-1;;;;;+3.

What are the key properties of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide?

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide has a molecular weight of 2153.50 g/mol, XLogP of 16.68, 9 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;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide is sourced from PubChem (CID 158359208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).