2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid

C138H140F7Ir5N10O2-5 — CID 161246330

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid (PubChem CID 161246330) has the molecular formula C138H140F7Ir5N10O2-5 and a molecular weight of 3064.78 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid
• PubChem CID: 161246330
• Molecular Formula: C138H140F7Ir5N10O2-5
• Molecular Weight: 3064.78 g/mol
• Exact Mass: 3066.92
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid
• SMILES: CCCCCCc1ccc(-c2cc(-c3nc(C)c(C)n3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nc(C)cn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3nccn3-c3c(C)cc(C)cc3C)c2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H34FN2.C30H30F3N2.C30H32FN2.C30H33N2.C11H6F2N.C6H5NO2.5Ir/c1-6-7-8-9-13-25-14-16-26(17-15-25)28-20-27(18-19-29(28)32)31-33-23(4)24(5)34(31)30-21(2)11-10-12-22(30)3;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30(31,32)33)29-34-18-19-35(29)28-21(2)9-8-10-22(28)3;1-5-6-7-8-12-24-13-15-25(16-14-24)27-19-26(17-18-28(27)31)30-32-23(4)20-33(30)29-21(2)10-9-11-22(29)3;1-5-6-7-8-10-25-13-15-26(16-14-25)27-11-9-12-28(21-27)30-31-17-18-32(30)29-23(3)19-22(2)20-24(29)4;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;;;/h10-12,14-17,19-20H,6-9,13H2,1-5H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;9-11,13-16,18-20H,5-8,12H2,1-4H3;9,11,13-21H,5-8,10H2,1-4H3;1-4,6-7H;1-4H,(H,8,9);;;;;/q5*-1
• InChIKey: GSIJPGUKGYNRKT-UHFFFAOYSA-N
• XLogP: 37.11
• TPSA: 134.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 34
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3064.78
LogP ≤ 5	37.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid (CID 161246330) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid is CCCCCCc1ccc(-c2cc(-c3nc(C)c(C)n3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nc(C)cn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3nccn3-c3c(C)cc(C)cc3C)c2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid?

The InChIKey is GSIJPGUKGYNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN2.C30H30F3N2.C30H32FN2.C30H33N2.C11H6F2N.C6H5NO2.5Ir/c1-6-7-8-9-13-25-14-16-26(17-15-25)28-20-27(18-19-29(28)32)31-33-23(4)24(5)34(31)30-21(2)11-10-12-22(30)3;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30(31,32)33)29-34-18-19-35(29)28-21(2)9-8-10-22(28)3;1-5-6-7-8-12-24-13-15-25(16-14-24)27-19-26(17-18-28(27)31)30-32-23(4)20-33(30)29-21(2)10-9-11-22(29)3;1-5-6-7-8-10-25-13-15-26(16-14-25)27-11-9-12-28(21-27)30-31-17-18-32(30)29-23(3)19-22(2)20-24(29)4;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;;;/h10-12,14-17,19-20H,6-9,13H2,1-5H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;9-11,13-16,18-20H,5-8,12H2,1-4H3;9,11,13-21H,5-8,10H2,1-4H3;1-4,6-7H;1-4H,(H,8,9);;;;;/q5*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid has a molecular weight of 3064.78 g/mol, XLogP of 37.11, 34 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4,5-dimethylimidazole;1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]-4-methylimidazole;1-(2,6-dimethylphenyl)-2-[3-(4-hexylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);pyridine-2-carboxylic acid is sourced from PubChem (CID 161246330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).