bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide

C134H124F10Ir4N28O3-20 — CID 162287809

About bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide

bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide (PubChem CID 162287809) has the molecular formula C134H124F10Ir4N28O3-20 and a molecular weight of 3133.51 g/mol. Its IUPAC name is bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
• PubChem CID: 162287809
• Molecular Formula: C134H124F10Ir4N28O3-20
• Molecular Weight: 3133.51 g/mol
• Exact Mass: 3134.89
• IUPAC Name: bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
• SMILES: CC(C)N1C=CN(c2[c-]c(N3C=CN(C(C)C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(C)(C)C)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(C)(C)C)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2nc(-c3[c-]cccc3)c(F)c3ccccc23)[n-]n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H22F3N4.C19H12FN3.2C18H23N4.C15H14F3N4.3C15H10FN3O.4Ir/c1-14(2)23-5-7-25(12-23)17-9-16(19(20,21)22)10-18(11-17)26-8-6-24(13-26)15(3)4;1-12-11-16(23-22-12)19-15-10-6-5-9-14(15)17(20)18(21-19)13-7-3-2-4-8-13;2*1-18(2,3)15-10-16(21-8-6-19(4)13-21)12-17(11-15)22-9-7-20(5)14-22;1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;3*1-10-9-14(19-18-10)13-3-2-4-15(17-13)20-12-7-5-11(16)6-8-12;;;;/h5-10,12-15H,1-4H3;2-7,9-11H,1H3;2*6-11,13-14H,1-5H3;3-8,10-11H,1-2H3;3*2-7,9H,1H3;;;;/q-3;-2;3*-3;3*-2
• InChIKey: IAQJGUVPHMQVBE-UHFFFAOYSA-N
• XLogP: 28.46
• TPSA: 239.05 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3133.51
LogP ≤ 5	28.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The IUPAC name of bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide (CID 162287809) is bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide.

What is the SMILES notation for bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The canonical SMILES for bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide is CC(C)N1C=CN(c2[c-]c(N3C=CN(C(C)C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(C)(C)C)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(C)(C)C)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2nc(-c3[c-]cccc3)c(F)c3ccccc23)[n-]n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The InChIKey is IAQJGUVPHMQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N4.C19H12FN3.2C18H23N4.C15H14F3N4.3C15H10FN3O.4Ir/c1-14(2)23-5-7-25(12-23)17-9-16(19(20,21)22)10-18(11-17)26-8-6-24(13-26)15(3)4;1-12-11-16(23-22-12)19-15-10-6-5-9-14(15)17(20)18(21-19)13-7-3-2-4-8-13;2*1-18(2,3)15-10-16(21-8-6-19(4)13-21)12-17(11-15)22-9-7-20(5)14-22;1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;3*1-10-9-14(19-18-10)13-3-2-4-15(17-13)20-12-7-5-11(16)6-8-12;;;;/h5-10,12-15H,1-4H3;2-7,9-11H,1H3;2*6-11,13-14H,1-5H3;3-8,10-11H,1-2H3;3*2-7,9H,1H3;;;;/q-3;-2;3*-3;3*-2;;;;.

What are the key properties of bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide has a molecular weight of 3133.51 g/mol, XLogP of 28.46, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide);tris(2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine);4-fluoro-1-(5-methylpyrazol-2-id-3-yl)-3-phenylisoquinoline;tetrakis(iridium);1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide is sourced from PubChem (CID 162287809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).