bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)

C57H36F8Ir4N5O2-5 — CID 157166331

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium) (PubChem CID 157166331) has the molecular formula C57H36F8Ir4N5O2-5 and a molecular weight of 1743.80 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium).

Molecular Properties

• Compound Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)
• PubChem CID: 157166331
• Molecular Formula: C57H36F8Ir4N5O2-5
• Molecular Weight: 1743.80 g/mol
• Exact Mass: 1746.13
• IUPAC Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)
• SMILES: Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H8F2NO.C12H9FNO.2C11H6F2N.C11H7FN.4Ir/c13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;/h1,3-6,16H,7H2;1,3-7,15H,8H2;2*1-4,6-7H;1-4,6-8H;;;;/q5*-1
• InChIKey: KRYLLQJISAWEFO-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 104.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1743.80
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)?

The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium) (CID 157166331) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium).

What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)?

The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium) is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)?

The InChIKey is KRYLLQJISAWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2NO.C12H9FNO.2C11H6F2N.C11H7FN.4Ir/c13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;13-11-3-1-10(2-4-11)12-7-9(8-15)5-6-14-12;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;/h1,3-6,16H,7H2;1,3-7,15H,8H2;2*1-4,6-7H;1-4,6-8H;;;;/q5*-1;;;;.

What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium)?

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium) has a molecular weight of 1743.80 g/mol, XLogP of 12.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;tetrakis(iridium) is sourced from PubChem (CID 157166331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).