4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)

C69H57Br3I2Ir4N8O-4 — CID 161064043

About 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)

4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium) (PubChem CID 161064043) has the molecular formula C69H57Br3I2Ir4N8O-4 and a molecular weight of 2276.66 g/mol. Its IUPAC name is 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium).

Molecular Properties

• Compound Name: 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)
• PubChem CID: 161064043
• Molecular Formula: C69H57Br3I2Ir4N8O-4
• Molecular Weight: 2276.66 g/mol
• Exact Mass: 2275.88
• IUPAC Name: 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)
• SMILES: COc1c[c-]c(-c2nc(Br)c(I)n2-c2c(C)cccc2C)cc1.Cc1cc(C)c(-n2cc(I)nc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1cc(Br)nc1-c1[c-]cccc1.Cc1ccccc1-n1cc(Br)nc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C18H15BrIN2O.C18H16IN2.C17H14BrN2.C16H12BrN2.4Ir/c1-11-5-4-6-12(2)15(11)22-17(20)16(19)21-18(22)13-7-9-14(23-3)10-8-13;1-12-9-13(2)17(14(3)10-12)21-11-16(19)20-18(21)15-7-5-4-6-8-15;1-12-7-6-8-13(2)16(12)20-11-15(18)19-17(20)14-9-4-3-5-10-14;1-12-7-5-6-10-14(12)19-11-15(17)18-16(19)13-8-3-2-4-9-13;;;;/h4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;3-9,11H,1-2H3;2-8,10-11H,1H3;;;;/q4*-1
• InChIKey: HJQZUDJDLXVCLC-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 80.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2276.66
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)?

The IUPAC name of 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium) (CID 161064043) is 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium).

What is the SMILES notation for 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)?

The canonical SMILES for 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium) is COc1c[c-]c(-c2nc(Br)c(I)n2-c2c(C)cccc2C)cc1.Cc1cc(C)c(-n2cc(I)nc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1cc(Br)nc1-c1[c-]cccc1.Cc1ccccc1-n1cc(Br)nc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)?

The InChIKey is HJQZUDJDLXVCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrIN2O.C18H16IN2.C17H14BrN2.C16H12BrN2.4Ir/c1-11-5-4-6-12(2)15(11)22-17(20)16(19)21-18(22)13-7-9-14(23-3)10-8-13;1-12-9-13(2)17(14(3)10-12)21-11-16(19)20-18(21)15-7-5-4-6-8-15;1-12-7-6-8-13(2)16(12)20-11-15(18)19-17(20)14-9-4-3-5-10-14;1-12-7-5-6-10-14(12)19-11-15(17)18-16(19)13-8-3-2-4-9-13;;;;/h4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;3-9,11H,1-2H3;2-8,10-11H,1H3;;;;/q4*-1;;;;.

What are the key properties of 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)?

4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium) has a molecular weight of 2276.66 g/mol, XLogP of 19.32, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium) is sourced from PubChem (CID 161064043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).