bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+))

C58H52F8Ir2N10 — CID 153425465

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

bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)) (PubChem CID 153425465) has the molecular formula C58H52F8Ir2N10 and a molecular weight of 1425.54 g/mol. Its IUPAC name is bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)).

Molecular Properties

• Compound Name: bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+))
• PubChem CID: 153425465
• Molecular Formula: C58H52F8Ir2N10
• Molecular Weight: 1425.54 g/mol
• Exact Mass: 1426.35
• IUPAC Name: bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+))
• SMILES: CC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir+3].[Ir+3]
• InChI: InChI=1S/2C19H17F3N3.2C10H9FN2.2Ir/c2*1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*4-11H,1-3H3;2*2-4,6-8H,1H3;;/q2*-1;2*-2;2*+3
• InChIKey: QNJHNLJRASTSNX-UHFFFAOYSA-N
• XLogP: 14.10
• 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	1425.54
LogP ≤ 5	14.10
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(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+))?

The IUPAC name of bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)) (CID 153425465) is bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)).

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

The canonical SMILES for bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)) is CC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir+3].[Ir+3].

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

The InChIKey is QNJHNLJRASTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17F3N3.2C10H9FN2.2Ir/c2*1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*4-11H,1-3H3;2*2-4,6-8H,1H3;;/q2*-1;2*-2;2*+3.

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

bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)) has a molecular weight of 1425.54 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-tert-butylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium(3+)) is sourced from PubChem (CID 153425465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).