9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide

C43H32F3IrN8-5 — CID 167413542

About 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide

9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide (PubChem CID 167413542) has the molecular formula C43H32F3IrN8-5 and a molecular weight of 910.00 g/mol. Its IUPAC name is 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
• PubChem CID: 167413542
• Molecular Formula: C43H32F3IrN8-5
• Molecular Weight: 910.00 g/mol
• Exact Mass: 910.24
• IUPAC Name: 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cn1cc(-n2c3[c-]cccc3c3ccccc32)nc1-n1c2[c-]cccc2c2ccccc21.[Ir]
• InChI: InChI=1S/C28H18N4.C15H14F3N4.Ir/c1-30-18-27(31-23-14-6-2-10-19(23)20-11-3-7-15-24(20)31)29-28(30)32-25-16-8-4-12-21(25)22-13-5-9-17-26(22)32;1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;/h2-14,16,18H,1H3;3-8,10-11H,1-2H3;/q-2;-3
• InChIKey: UDXGLLAQWQGVBR-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 40.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.00
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The IUPAC name of 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide (CID 167413542) is 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide.

What is the SMILES notation for 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The canonical SMILES for 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cn1cc(-n2c3[c-]cccc3c3ccccc32)nc1-n1c2[c-]cccc2c2ccccc21.[Ir].

What is the InChIKey of 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

The InChIKey is UDXGLLAQWQGVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4.C15H14F3N4.Ir/c1-30-18-27(31-23-14-6-2-10-19(23)20-11-3-7-15-24(20)31)29-28(30)32-25-16-8-4-12-21(25)22-13-5-9-17-26(22)32;1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;/h2-14,16,18H,1H3;3-8,10-11H,1-2H3;/q-2;-3;.

What are the key properties of 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide?

9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide has a molecular weight of 910.00 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(1H-carbazol-1-id-9-yl)-1-methylimidazol-4-yl]-1H-carbazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide is sourced from PubChem (CID 167413542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).