hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile

C172H161Ir6N19-6 — CID 160929958

About hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile

hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile (PubChem CID 160929958) has the molecular formula C172H161Ir6N19-6 and a molecular weight of 3647.61 g/mol. Its IUPAC name is hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile.

Molecular Properties

• Compound Name: hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile
• PubChem CID: 160929958
• Molecular Formula: C172H161Ir6N19-6
• Molecular Weight: 3647.61 g/mol
• Exact Mass: 3650.10
• IUPAC Name: hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile
• SMILES: Cc1ccc(-c2cc(C(C)C)c(-n3cc(C#N)nc3-c3[c-]cccc3)c(C(C)C)c2)cc1.Cc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[C-]#[N+]c1cc[c-]c(-c2nccn2-c2c(C(C)C)cc(-c3ccc(C)cc3)cc2C(C)C)c1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3cc(C#N)nc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]ccc([N+]#[C-])c3)c(C(C)C)c2)cc1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C29H25N4.2C29H28N3.C28H26N3.C28H29N2.6Ir/c1-19(2)26-17-23(21-10-12-24(30-5)13-11-21)18-27(20(3)4)28(26)33-15-14-32-29(33)22-8-7-9-25(16-22)31-6;1-19(2)26-15-23(21-11-13-24(31-5)14-12-21)16-27(20(3)4)28(26)33-18-25(17-30)32-29(33)22-9-7-6-8-10-22;1-19(2)26-17-24(22-12-10-21(5)11-13-22)18-27(20(3)4)28(26)32-15-14-31-29(32)23-8-7-9-25(16-23)30-6;1-19(2)26-15-24(22-13-11-21(5)12-14-22)16-27(20(3)4)28(26)32-18-25(17-30)31-29(32)23-9-7-6-8-10-23;1-19(2)25-17-23(21-11-13-24(29-5)14-12-21)18-26(20(3)4)27(25)31-16-15-30-28(31)22-9-7-6-8-10-22;1-19(2)25-17-24(22-13-11-21(5)12-14-22)18-26(20(3)4)27(25)30-16-15-29-28(30)23-9-7-6-8-10-23;;;;;;/h7,9-20H,1-4H3;6-9,11-16,18-20H,1-4H3;7,9-20H,1-5H3;6-9,11-16,18-20H,1-5H3;6-9,11-20H,1-4H3;6-9,11-20H,1-5H3;;;;;;/q6*-1
• InChIKey: SGXYQFWNQUIDEK-UHFFFAOYSA-N
• XLogP: 46.93
• TPSA: 176.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3647.61
LogP ≤ 5	46.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile?

The IUPAC name of hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile (CID 160929958) is hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile.

What is the SMILES notation for hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile?

The canonical SMILES for hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile is Cc1ccc(-c2cc(C(C)C)c(-n3cc(C#N)nc3-c3[c-]cccc3)c(C(C)C)c2)cc1.Cc1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[C-]#[N+]c1cc[c-]c(-c2nccn2-c2c(C(C)C)cc(-c3ccc(C)cc3)cc2C(C)C)c1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3cc(C#N)nc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]ccc([N+]#[C-])c3)c(C(C)C)c2)cc1.[C-]#[N+]c1ccc(-c2cc(C(C)C)c(-n3ccnc3-c3[c-]cccc3)c(C(C)C)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile?

The InChIKey is SGXYQFWNQUIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25N4.2C29H28N3.C28H26N3.C28H29N2.6Ir/c1-19(2)26-17-23(21-10-12-24(30-5)13-11-21)18-27(20(3)4)28(26)33-15-14-32-29(33)22-8-7-9-25(16-22)31-6;1-19(2)26-15-23(21-11-13-24(31-5)14-12-21)16-27(20(3)4)28(26)33-18-25(17-30)32-29(33)22-9-7-6-8-10-22;1-19(2)26-17-24(22-12-10-21(5)11-13-22)18-27(20(3)4)28(26)32-15-14-31-29(32)23-8-7-9-25(16-23)30-6;1-19(2)26-15-24(22-13-11-21(5)12-14-22)16-27(20(3)4)28(26)32-18-25(17-30)31-29(32)23-9-7-6-8-10-23;1-19(2)25-17-23(21-11-13-24(29-5)14-12-21)18-26(20(3)4)27(25)31-16-15-30-28(31)22-9-7-6-8-10-22;1-19(2)25-17-24(22-13-11-21(5)12-14-22)18-26(20(3)4)27(25)30-16-15-29-28(30)23-9-7-6-8-10-23;;;;;;/h7,9-20H,1-4H3;6-9,11-16,18-20H,1-4H3;7,9-20H,1-5H3;6-9,11-16,18-20H,1-5H3;6-9,11-20H,1-4H3;6-9,11-20H,1-5H3;;;;;;/q6*-1;;;;;;.

What are the key properties of hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile?

hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile has a molecular weight of 3647.61 g/mol, XLogP of 46.93, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]imidazole;2-(3-isocyanobenzene-6-id-1-yl)-1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-isocyanophenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole-4-carbonitrile is sourced from PubChem (CID 160929958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).