bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)

C60H48F14Ir2N10-8 — CID 153425429

About bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)

bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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) (PubChem CID 153425429) has the molecular formula C60H48F14Ir2N10-8 and a molecular weight of 1559.52 g/mol. Its IUPAC name is bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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).

Molecular Properties

• Compound Name: bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)
• PubChem CID: 153425429
• Molecular Formula: C60H48F14Ir2N10-8
• Molecular Weight: 1559.52 g/mol
• Exact Mass: 1560.31
• IUPAC Name: bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)
• SMILES: CC(C)(C)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2cc(C(F)(F)F)cc(-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].[Ir]
• InChI: InChI=1S/2C20H15F6N3.2C10H9FN2.2Ir/c2*1-18(2,3)12-6-4-11(5-7-12)14-8-13(19(21,22)23)9-15(27-14)16-10-17(29-28-16)20(24,25)26;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*4,6-10H,1-3H3;2*2-4,6-8H,1H3;;/q4*-2
• InChIKey: JEACSVGHANWEQC-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 92.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1559.52
LogP ≤ 5	15.74
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-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)?

The IUPAC name of bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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) (CID 153425429) is bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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).

What is the SMILES notation for bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)?

The canonical SMILES for bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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) is CC(C)(C)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.CC(C)(C)c1c[c-]c(-c2cc(C(F)(F)F)cc(-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].[Ir].

What is the InChIKey of bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)?

The InChIKey is JEACSVGHANWEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15F6N3.2C10H9FN2.2Ir/c2*1-18(2,3)12-6-4-11(5-7-12)14-8-13(19(21,22)23)9-15(27-14)16-10-17(29-28-16)20(24,25)26;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*4,6-10H,1-3H3;2*2-4,6-8H,1H3;;/q4*-2;;.

What are the key properties of bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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)?

bis(2-(4-tert-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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) has a molecular weight of 1559.52 g/mol, XLogP of 15.74, 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-butylbenzene-6-id-1-yl)-4-(trifluoromethyl)-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) is sourced from PubChem (CID 153425429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).