iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide

C38H26F9IrN8O-5 — CID 162286537

About iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 162286537) has the molecular formula C38H26F9IrN8O-5 and a molecular weight of 973.88 g/mol. Its IUPAC name is iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide
• PubChem CID: 162286537
• Molecular Formula: C38H26F9IrN8O-5
• Molecular Weight: 973.88 g/mol
• Exact Mass: 974.17
• IUPAC Name: iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2cc(C(F)(F)F)n[n-]2)n1.[Ir]
• InChI: InChI=1S/C23H12F6N4O.C15H14F3N4.Ir/c1-12-5-7-16-14(9-12)15-10-13(22(24,25)26)6-8-17(15)33(16)19-3-2-4-20(30-19)34-21-11-18(31-32-21)23(27,28)29;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;/h2-7,9-11H,1H3;3-8,10-11H,1-2H3;/q-2;-3
• InChIKey: JALWIQMJAPMTJK-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 67.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.88
LogP ≤ 5	9.66
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 iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide?

The IUPAC name of iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide (CID 162286537) is iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide.

What is the SMILES notation for iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide?

The canonical SMILES for iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2cc(C(F)(F)F)n[n-]2)n1.[Ir].

What is the InChIKey of iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide?

The InChIKey is JALWIQMJAPMTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F6N4O.C15H14F3N4.Ir/c1-12-5-7-16-14(9-12)15-10-13(22(24,25)26)6-8-17(15)33(16)19-3-2-4-20(30-19)34-21-11-18(31-32-21)23(27,28)29;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;/h2-7,9-11H,1H3;3-8,10-11H,1-2H3;/q-2;-3;.

What are the key properties of iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 973.88 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 162286537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).