dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid

C108H104AgCl5F3Ir3N10O2-2 — CID 160577311

About dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid

dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid (PubChem CID 160577311) has the molecular formula C108H104AgCl5F3Ir3N10O2-2 and a molecular weight of 2492.87 g/mol. Its IUPAC name is dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid
• PubChem CID: 160577311
• Molecular Formula: C108H104AgCl5F3Ir3N10O2-2
• Molecular Weight: 2492.87 g/mol
• Exact Mass: 2490.47
• IUPAC Name: dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(C)c(-n2cc(-c3ccc(C)c(C)c3)nc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3ccc(C)c(C)c3)nc2-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1.Cl[Ir+]Cl.Cl[Ir](Cl)Cl.O=C(O)C(F)(F)F.[Ag].[Ir]
• InChI: InChI=1S/C26H26N2.C26H25N2.C18H18N2.2C18H17N2.C2HF3O2.Ag.5ClH.3Ir/c2*1-17-13-20(4)25(21(5)14-17)28-16-24(23-12-11-18(2)19(3)15-23)27-26(28)22-9-7-6-8-10-22;3*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;3-2(4,5)1(6)7;;;;;;;;;/h6-16H,1-5H3;6-9,11-16H,1-5H3;4-12H,1-3H3;2*4-7,9-12H,1-3H3;(H,6,7);;5*1H;;;/q;-1;;2*-1;;;;;;;;;2*+3/p-5
• InChIKey: QIYGAQBGZFYRRB-UHFFFAOYSA-I
• XLogP: 30.36
• TPSA: 126.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.87
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid?

The IUPAC name of dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid (CID 160577311) is dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid.

What is the SMILES notation for dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid?

The canonical SMILES for dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid is Cc1cc(C)c(-n2cc(-c3ccc(C)c(C)c3)nc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3ccc(C)c(C)c3)nc2-c2ccccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1.Cl[Ir+]Cl.Cl[Ir](Cl)Cl.O=C(O)C(F)(F)F.[Ag].[Ir].

What is the InChIKey of dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid?

The InChIKey is QIYGAQBGZFYRRB-UHFFFAOYSA-I. The full InChI is InChI=1S/C26H26N2.C26H25N2.C18H18N2.2C18H17N2.C2HF3O2.Ag.5ClH.3Ir/c2*1-17-13-20(4)25(21(5)14-17)28-16-24(23-12-11-18(2)19(3)15-23)27-26(28)22-9-7-6-8-10-22;3*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;3-2(4,5)1(6)7;;;;;;;;;/h6-16H,1-5H3;6-9,11-16H,1-5H3;4-12H,1-3H3;2*4-7,9-12H,1-3H3;(H,6,7);;5*1H;;;/q;-1;;2*-1;;;;;;;;;2*+3/p-5.

What are the key properties of dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid?

dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid has a molecular weight of 2492.87 g/mol, XLogP of 30.36, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dichloroiridium(1+);4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;4-(3,4-dimethylphenyl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);silver;trichloroiridium;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160577311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).