tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol

C140H120F6Ir4N24O4-20 — CID 162286572

About tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol

tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol (PubChem CID 162286572) has the molecular formula C140H120F6Ir4N24O4-20 and a molecular weight of 3085.52 g/mol. Its IUPAC name is tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol.

Molecular Properties

• Compound Name: tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol
• PubChem CID: 162286572
• Molecular Formula: C140H120F6Ir4N24O4-20
• Molecular Weight: 3085.52 g/mol
• Exact Mass: 3086.85
• IUPAC Name: tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.Cc1c[c-]c(N2[CH-]N(c3ccccc3O)c3ccccc32)cc1.Cc1c[c-]c(N2[CH-]N(c3ccccc3O)c3ccccc32)cc1.Oc1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.Oc1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H19N4.2C20H16N2O.C19H14N2O.2C15H14F3N4.C15H12N2O.C14H15N4.4Ir/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;2*1-15-10-12-16(13-11-15)21-14-22(18-7-3-2-6-17(18)21)19-8-4-5-9-20(19)23;22-19-13-7-6-12-18(19)21-14-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)21;2*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;18-15-9-5-4-8-14(15)17-11-10-16(12-17)13-6-2-1-3-7-13;1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;;/h3-13,15-16H,1-2H3;2*2-12,14,23H,1H3;1-8,10-14,22H;2*3-8,10-11H,1-2H3;1-6,8-12,18H;3-9,11-12H,1-2H3;;;;/q-3;3*-2;2*-3;-2;-3
• InChIKey: ZSPZZNAQHBSEEX-UHFFFAOYSA-N
• XLogP: 30.97
• TPSA: 158.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.52
LogP ≤ 5	30.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol?

The IUPAC name of tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol (CID 162286572) is tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol.

What is the SMILES notation for tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol?

The canonical SMILES for tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.Cc1c[c-]c(N2[CH-]N(c3ccccc3O)c3ccccc32)cc1.Cc1c[c-]c(N2[CH-]N(c3ccccc3O)c3ccccc32)cc1.Oc1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.Oc1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol?

The InChIKey is ZSPZZNAQHBSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N4.2C20H16N2O.C19H14N2O.2C15H14F3N4.C15H12N2O.C14H15N4.4Ir/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;2*1-15-10-12-16(13-11-15)21-14-22(18-7-3-2-6-17(18)21)19-8-4-5-9-20(19)23;22-19-13-7-6-12-18(19)21-14-20(15-8-2-1-3-9-15)16-10-4-5-11-17(16)21;2*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;18-15-9-5-4-8-14(15)17-11-10-16(12-17)13-6-2-1-3-7-13;1-15-6-8-17(11-15)13-4-3-5-14(10-13)18-9-7-16(2)12-18;;;;/h3-13,15-16H,1-2H3;2*2-12,14,23H,1H3;1-8,10-14,22H;2*3-8,10-11H,1-2H3;1-6,8-12,18H;3-9,11-12H,1-2H3;;;;/q-3;3*-2;2*-3;-2;-3;;;;.

What are the key properties of tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol?

tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol has a molecular weight of 3085.52 g/mol, XLogP of 30.97, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);bis(2-[3-(4-methylbenzene-6-id-1-yl)-2H-benzimidazol-2-id-1-yl]phenol);1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);2-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenol;2-(3-phenyl-2H-imidazol-2-id-1-yl)phenol is sourced from PubChem (CID 162286572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).