tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C107H60F29Ir4N25- — CID 157445391

About tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 157445391) has the molecular formula C107H60F29Ir4N25- and a molecular weight of 3015.64 g/mol. Its IUPAC name is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• PubChem CID: 157445391
• Molecular Formula: C107H60F29Ir4N25-
• Molecular Weight: 3015.64 g/mol
• Exact Mass: 3017.35
• IUPAC Name: tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• SMILES: FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Ir+3].[Ir+3].[Ir]
• InChI: InChI=1S/4C11H6F2N.C9H6F3N3.6C9H5F3N3.4Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;7*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;/h4*1-4,6-7H;1-5H,(H,14,15);6*1-5H;;;;/q4*-1;;6*-1;;3*+3
• InChIKey: VMVNTGYUSMHGPE-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 332.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3015.64
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 157445391) is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The canonical SMILES for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].[Ir+3].[Ir+3].[Ir].

What is the InChIKey of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The InChIKey is VMVNTGYUSMHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H6F2N.C9H6F3N3.6C9H5F3N3.4Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;7*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;/h4*1-4,6-7H;1-5H,(H,14,15);6*1-5H;;;;/q4*-1;;6*-1;;3*+3.

What are the key properties of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 3015.64 g/mol, XLogP of 26.51, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 157445391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).