tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C124H113Ir4N14O-9 — CID 160998535

About tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 160998535) has the molecular formula C124H113Ir4N14O-9 and a molecular weight of 2584.23 g/mol. Its IUPAC name is tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

• Compound Name: tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• PubChem CID: 160998535
• Molecular Formula: C124H113Ir4N14O-9
• Molecular Weight: 2584.23 g/mol
• Exact Mass: 2585.78
• IUPAC Name: tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• SMILES: C=C(C)COc1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1.C=CCc1c[c-]c(-c2nccn2C)cc1.C=CCc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=CCc1ccc(-c2cc[c-]c(N3[N-]C(C)c4ccccc43)c2)cc1.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H20N2.C22H23N2O.C20H16N2.C18H17N2.C18H15N2.C13H13N2.C10H9N2.4Ir/c1-3-7-18-12-14-19(15-13-18)20-8-6-9-21(16-20)25-23-11-5-4-10-22(23)17(2)24-25;1-15(2)14-25-20-8-6-19(7-9-20)22-23-10-11-24(22)21-17(4)12-16(3)13-18(21)5;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-2-6-15-9-11-18(12-10-15)20-14-17(13-19-20)16-7-4-3-5-8-16;1-3-4-11-5-7-12(8-6-11)13-14-9-10-15(13)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;/h3-6,8,10-17H,1,7H2,2H3;6,8-13H,1,14H2,2-5H3;2-10,12-15H,1H3;4-7,9-12H,1-3H3;2-5,7-11,13-14H,1,6H2;3,5-7,9-10H,1,4H2,2H3;2-5,7-8H,1H3;;;;/q-2;-1;-2;4*-1
• InChIKey: BRLBTQSGDAPPMR-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 122.15 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2584.23
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The IUPAC name of tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 160998535) is tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

What is the SMILES notation for tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The canonical SMILES for tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is C=C(C)COc1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1.C=CCc1c[c-]c(-c2nccn2C)cc1.C=CCc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=CCc1ccc(-c2cc[c-]c(N3[N-]C(C)c4ccccc43)c2)cc1.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The InChIKey is BRLBTQSGDAPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2.C22H23N2O.C20H16N2.C18H17N2.C18H15N2.C13H13N2.C10H9N2.4Ir/c1-3-7-18-12-14-19(15-13-18)20-8-6-9-21(16-20)25-23-11-5-4-10-22(23)17(2)24-25;1-15(2)14-25-20-8-6-19(7-9-20)22-23-10-11-24(22)21-17(4)12-16(3)13-18(21)5;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-2-6-15-9-11-18(12-10-15)20-14-17(13-19-20)16-7-4-3-5-8-16;1-3-4-11-5-7-12(8-6-11)13-14-9-10-15(13)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;/h3-6,8,10-17H,1,7H2,2H3;6,8-13H,1,14H2,2-5H3;2-10,12-15H,1H3;4-7,9-12H,1-3H3;2-5,7-11,13-14H,1,6H2;3,5-7,9-10H,1,4H2,2H3;2-5,7-8H,1H3;;;;/q-2;-1;-2;4*-1;;;;.

What are the key properties of tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2584.23 g/mol, XLogP of 29.29, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;3-methyl-1-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-3H-indazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 160998535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).