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

C48H28F14Ir2N14-8 — CID 153425442

About bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-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);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide) (PubChem CID 153425442) has the molecular formula C48H28F14Ir2N14-8 and a molecular weight of 1451.26 g/mol. Its IUPAC name is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide).

Molecular Properties

• Compound Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide)
• PubChem CID: 153425442
• Molecular Formula: C48H28F14Ir2N14-8
• Molecular Weight: 1451.26 g/mol
• Exact Mass: 1452.17
• IUPAC Name: bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide)
• SMILES: CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1cc(-c2cccc(-c3[c-]nc(C(F)(F)F)nc3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3[c-]nc(C(F)(F)F)nc3)n2)[n-]n1.[Ir].[Ir]
• InChI: InChI=1S/2C14H5F6N5.2C10H9FN2.2Ir/c2*15-13(16,17)11-4-10(24-25-11)9-3-1-2-8(23-9)7-5-21-12(22-6-7)14(18,19)20;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1-5H;2*2-4,6-8H,1H3;;/q4*-2
• InChIKey: XIBRDXAGWUCQFJ-UHFFFAOYSA-N
• XLogP: 10.72
• 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	1451.26
LogP ≤ 5	10.72
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 bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide)?

The IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide) (CID 153425442) is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide).

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

The canonical SMILES for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide) is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1cc(-c2cccc(-c3[c-]nc(C(F)(F)F)nc3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(-c3[c-]nc(C(F)(F)F)nc3)n2)[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(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide)?

The InChIKey is XIBRDXAGWUCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H5F6N5.2C10H9FN2.2Ir/c2*15-13(16,17)11-4-10(24-25-11)9-3-1-2-8(23-9)7-5-21-12(22-6-7)14(18,19)20;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1-5H;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(2-(trifluoromethyl)-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);bis(iridium);bis(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide) has a molecular weight of 1451.26 g/mol, XLogP of 10.72, 6 rotatable bonds, 0 hydrogen bond donors, and 12 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(2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide) is sourced from PubChem (CID 153425442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).