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

C54H47F8Ir2N14-4 — CID 153425460

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

5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+) (PubChem CID 153425460) has the molecular formula C54H47F8Ir2N14-4 and a molecular weight of 1428.49 g/mol. Its IUPAC name is 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+).

Molecular Properties

• Compound Name: 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+)
• PubChem CID: 153425460
• Molecular Formula: C54H47F8Ir2N14-4
• Molecular Weight: 1428.49 g/mol
• Exact Mass: 1429.33
• IUPAC Name: 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+)
• SMILES: CC(C)(C)c1cnc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)nc1.CC(C)(C)c1n[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cn1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir+3].[Ir]
• InChI: InChI=1S/C17H15F3N5.C17H14F3N5.2C10H9FN2.2Ir/c1-16(2,3)10-8-21-15(22-9-10)12-6-4-5-11(23-12)13-7-14(25-24-13)17(18,19)20;1-16(2,3)15-21-8-10(9-22-15)11-5-4-6-12(23-11)13-7-14(25-24-13)17(18,19)20;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h4-9H,1-3H3;4-8H,1-3H3;2*2-4,6-8H,1H3;;/q-1;3*-2;;+3
• InChIKey: VVVTXKBYHFVRLD-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 144.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.49
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+)?

The IUPAC name of 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+) (CID 153425460) is 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+).

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

The canonical SMILES for 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+) is CC(C)(C)c1cnc(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)nc1.CC(C)(C)c1n[c-]c(-c2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)cn1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.[Ir+3].[Ir].

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

The InChIKey is VVVTXKBYHFVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N5.C17H14F3N5.2C10H9FN2.2Ir/c1-16(2,3)10-8-21-15(22-9-10)12-6-4-5-11(23-12)13-7-14(25-24-13)17(18,19)20;1-16(2,3)15-21-8-10(9-22-15)11-5-4-6-12(23-11)13-7-14(25-24-13)17(18,19)20;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h4-9H,1-3H3;4-8H,1-3H3;2*2-4,6-8H,1H3;;/q-1;3*-2;;+3.

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

5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+) has a molecular weight of 1428.49 g/mol, XLogP of 11.48, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-tert-butyl-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+) is sourced from PubChem (CID 153425460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).