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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium)

C80H52F9Ir5N7O2-6 — CID 159233440

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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium) (PubChem CID 159233440) has the molecular formula C80H52F9Ir5N7O2-6 and a molecular weight of 2275.41 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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium)
• PubChem CID: 159233440
• Molecular Formula: C80H52F9Ir5N7O2-6
• Molecular Weight: 2275.41 g/mol
• Exact Mass: 2278.22
• 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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium)
• SMILES: Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.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].[Ir]
• InChI: InChI=1S/C23H16FN2.C12H8F2NO.C12H9FNO.2C11H6F2N.C11H7FN.5Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;13-9-1-2-10(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;;;;;/h1-11,13-17H;1,3-6,16H,7H2;1,3-7,15H,8H2;2*1-4,6-7H;1-4,6-8H;;;;;/q6*-1
• InChIKey: PKACTLVDJZZUGX-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 121.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2275.41
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium) (CID 159233440) 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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium) is Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.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].[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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium)?

The InChIKey is PKACTLVDJZZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN2.C12H8F2NO.C12H9FNO.2C11H6F2N.C11H7FN.5Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;13-9-1-2-10(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;;;;;/h1-11,13-17H;1,3-6,16H,7H2;1,3-7,15H,8H2;2*1-4,6-7H;1-4,6-8H;;;;;/q6*-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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium) has a molecular weight of 2275.41 g/mol, XLogP of 18.99, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)pyridine;[2-(4-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;pentakis(iridium) is sourced from PubChem (CID 159233440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).