1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)

C158H177F4Ir5N12-5 — CID 161259115

About 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)

1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium) (PubChem CID 161259115) has the molecular formula C158H177F4Ir5N12-5 and a molecular weight of 3281.31 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium).

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)
• PubChem CID: 161259115
• Molecular Formula: C158H177F4Ir5N12-5
• Molecular Weight: 3281.31 g/mol
• Exact Mass: 3283.23
• IUPAC Name: 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)
• SMILES: CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3c(N4C(C)CCCC4C)cnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3cc(CCN(C)C)nc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3nccn3-c3c(C)cc(C)cc3C)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H44N3.C33H40N3.C30H30F3N2.C30H33N2.C29H30FN2.5Ir/c1-6-7-8-10-16-30-19-21-31(22-20-30)33-23-26(2)35(27(3)24-33)39-34(38-28(4)14-13-15-29(38)5)25-37-36(39)32-17-11-9-12-18-32;1-6-7-8-10-13-27-16-18-28(19-17-27)30-22-25(2)32(26(3)23-30)36-24-31(20-21-35(4)5)34-33(36)29-14-11-9-12-15-29;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;1-5-6-7-8-10-25-13-15-26(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;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30)29-31-18-19-32(29)28-21(2)9-8-10-22(28)3;;;;;/h9,11-12,17,19-25,28-29H,6-8,10,13-16H2,1-5H3;9,11-12,14,16-19,22-24H,6-8,10,13,20-21H2,1-5H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;9,11,13-21H,5-8,10H2,1-4H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;;;;;/q5*-1
• InChIKey: BPDBUWPNMOQQGH-UHFFFAOYSA-N
• XLogP: 42.06
• TPSA: 95.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 44
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3281.31
LogP ≤ 5	42.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)?

The IUPAC name of 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium) (CID 161259115) is 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium).

What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)?

The canonical SMILES for 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium) is CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2C(F)(F)F)cc1.CCCCCCc1ccc(-c2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2F)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3c(N4C(C)CCCC4C)cnc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc(C)c(-n3cc(CCN(C)C)nc3-c3[c-]cccc3)c(C)c2)cc1.CCCCCCc1ccc(-c2cc[c-]c(-c3nccn3-c3c(C)cc(C)cc3C)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)?

The InChIKey is BPDBUWPNMOQQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N3.C33H40N3.C30H30F3N2.C30H33N2.C29H30FN2.5Ir/c1-6-7-8-10-16-30-19-21-31(22-20-30)33-23-26(2)35(27(3)24-33)39-34(38-28(4)14-13-15-29(38)5)25-37-36(39)32-17-11-9-12-18-32;1-6-7-8-10-13-27-16-18-28(19-17-27)30-22-25(2)32(26(3)23-30)36-24-31(20-21-35(4)5)34-33(36)29-14-11-9-12-15-29;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;1-5-6-7-8-10-25-13-15-26(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;1-4-5-6-7-11-23-12-14-24(15-13-23)26-20-25(16-17-27(26)30)29-31-18-19-32(29)28-21(2)9-8-10-22(28)3;;;;;/h9,11-12,17,19-25,28-29H,6-8,10,13-16H2,1-5H3;9,11-12,14,16-19,22-24H,6-8,10,13,20-21H2,1-5H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;9,11,13-21H,5-8,10H2,1-4H3;8-10,12-15,17-20H,4-7,11H2,1-3H3;;;;;/q5*-1;;;;;.

What are the key properties of 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium)?

1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium) has a molecular weight of 3281.31 g/mol, XLogP of 42.06, 44 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-2-[4-fluoro-3-(4-hexylphenyl)benzene-6-id-1-yl]imidazole;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;2-[1-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-N,N-dimethylethanamine;1-[3-[4-(4-hexylphenyl)-2,6-dimethylphenyl]-2-phenylimidazol-4-yl]-2,6-dimethylpiperidine;pentakis(iridium) is sourced from PubChem (CID 161259115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).