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

C114H74F29Ir4N25- — CID 159146397

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

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 159146397) has the molecular formula C114H74F29Ir4N25- and a molecular weight of 3113.83 g/mol. Its IUPAC name is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• PubChem CID: 159146397
• Molecular Formula: C114H74F29Ir4N25-
• Molecular Weight: 3113.83 g/mol
• Exact Mass: 3115.46
• IUPAC Name: tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• SMILES: Cc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.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.C10H8F3N3.6C10H7F3N3.4Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;7*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;;;;/h4*1-4,6-7H;2-5H,1H3,(H,15,16);6*2-5H,1H3;;;;/q4*-1;;6*-1;;3*+3
• InChIKey: FPEDIDVBILZVIW-UHFFFAOYSA-N
• XLogP: 28.67
• TPSA: 332.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3113.83
LogP ≤ 5	28.67
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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 159146397) is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is Cc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The InChIKey is FPEDIDVBILZVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H6F2N.C10H8F3N3.6C10H7F3N3.4Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;7*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;;;;/h4*1-4,6-7H;2-5H,1H3,(H,15,16);6*2-5H,1H3;;;;/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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;tris(iridium(3+));hexakis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 3113.83 g/mol, XLogP of 28.67, 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(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 159146397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).