bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

C58H38F8Ir2N10-8 — CID 140888113

About bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (PubChem CID 140888113) has the molecular formula C58H38F8Ir2N10-8 and a molecular weight of 1411.43 g/mol. Its IUPAC name is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).

Molecular Properties

• Compound Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
• PubChem CID: 140888113
• Molecular Formula: C58H38F8Ir2N10-8
• Molecular Weight: 1411.43 g/mol
• Exact Mass: 1412.25
• IUPAC Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
• SMILES: CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)[n-]n1.[Ir].[Ir]
• InChI: InChI=1S/2C19H10F3N3.2C10H9FN2.2Ir/c2*20-19(21,22)17-11-16(24-25-17)18-14-9-5-4-8-13(14)10-15(23-18)12-6-2-1-3-7-12;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1-6,8-11H;2*2-4,6-8H,1H3;;/q4*-2
• InChIKey: WGUVUMMZJIAIRP-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 92.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.43
LogP ≤ 5	13.41
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 bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?

The IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (CID 140888113) is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).

What is the SMILES notation for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?

The canonical SMILES for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nc(-c3[c-]cccc3)cc3ccccc23)[n-]n1.[Ir].[Ir].

What is the InChIKey of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?

The InChIKey is WGUVUMMZJIAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H10F3N3.2C10H9FN2.2Ir/c2*20-19(21,22)17-11-16(24-25-17)18-14-9-5-4-8-13(14)10-15(23-18)12-6-2-1-3-7-12;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1-6,8-11H;2*2-4,6-8H,1H3;;/q4*-2;;.

What are the key properties of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) has a molecular weight of 1411.43 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(3-phenyl-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is sourced from PubChem (CID 140888113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).