2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole

C74H60F3Ir6N15O2-6 — CID 159099798

About 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole

2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole (PubChem CID 159099798) has the molecular formula C74H60F3Ir6N15O2-6 and a molecular weight of 2401.69 g/mol. Its IUPAC name is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole.

Molecular Properties

• Compound Name: 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole
• PubChem CID: 159099798
• Molecular Formula: C74H60F3Ir6N15O2-6
• Molecular Weight: 2401.69 g/mol
• Exact Mass: 2405.28
• IUPAC Name: 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole
• SMILES: Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1cc(-c2nccn2C)[c-]c(C(F)(F)F)c1.Cn1ccnc1-c1[c-]ccc([N+](=O)[O-])c1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1cccnc1
• InChI: InChI=1S/C15H11N2.C14H10N3.C12H10F3N2.C12H13N2.C11H8N3.C10H8N3O2.6Ir/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;1-8-5-9(11-16-3-4-17(11)2)7-10(6-8)12(13,14)15;1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-12-6-5-11-10(12)8-3-2-4-9(7-8)13(14)15;;;;;;/h1-7,9-12H;1-5,7-11H;3-6H,1-2H3;4,6-8H,1-3H3;3,5-8H,2H3;2,4-7H,1H3;;;;;;/q6*-1
• InChIKey: WUTPYBHMWNJRDD-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 167.31 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2401.69
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole (CID 159099798) is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole.

What is the SMILES notation for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The canonical SMILES for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole is Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1cc(-c2nccn2C)[c-]c(C(F)(F)F)c1.Cn1ccnc1-c1[c-]ccc([N+](=O)[O-])c1.[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1-c1cccnc1.

What is the InChIKey of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

The InChIKey is WUTPYBHMWNJRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.C14H10N3.C12H10F3N2.C12H13N2.C11H8N3.C10H8N3O2.6Ir/c1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;1-8-5-9(11-16-3-4-17(11)2)7-10(6-8)12(13,14)15;1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;1-12-6-5-11-10(12)8-3-2-4-9(7-8)13(14)15;;;;;;/h1-7,9-12H;1-5,7-11H;3-6H,1-2H3;4,6-8H,1-3H3;3,5-8H,2H3;2,4-7H,1H3;;;;;;/q6*-1;;;;;;.

What are the key properties of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole?

2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole has a molecular weight of 2401.69 g/mol, XLogP of 16.01, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;hexakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole;1-methyl-2-(3-nitrobenzene-6-id-1-yl)imidazole;3-(2-phenylimidazol-1-yl)pyridine;1-phenyl-2-phenylimidazole is sourced from PubChem (CID 159099798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).