8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine

C158H116F2Ir5N12O2-10 — CID 157265075

About 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine

8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 157265075) has the molecular formula C158H116F2Ir5N12O2-10 and a molecular weight of 3222.88 g/mol. Its IUPAC name is 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine
• PubChem CID: 157265075
• Molecular Formula: C158H116F2Ir5N12O2-10
• Molecular Weight: 3222.88 g/mol
• Exact Mass: 3224.81
• IUPAC Name: 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4)ccn3)[c-]ccc12.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C23H14FN2O.C18H14N.2C17H12N.2C13H12N.C12H10N.2C11H8N.5Ir/c1-14-8-9-19-18-6-3-7-20(22(18)27-23(19)26-14)21-13-16(10-11-25-21)15-4-2-5-17(24)12-15;1-14-5-10-19-18-3-2-4-20(22(18)27-23(19)26-14)21-13-16(11-12-25-21)15-6-8-17(24)9-7-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-13H,1H3;2-3,5-13H,1H3;2-5,7-13H,1H3;2*1-9,11-13H;2*3-6,8-9H,1-2H3;2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;/i;;1D3;;;2*2D3
• InChIKey: QJIBABUJWUDXAV-CIEVOJLASA-N
• XLogP: 39.14
• TPSA: 180.96 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3222.88
LogP ≤ 5	39.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine?

The IUPAC name of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine (CID 157265075) is 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine.

What is the SMILES notation for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine?

The canonical SMILES for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4)ccn3)[c-]ccc12.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine?

The InChIKey is QJIBABUJWUDXAV-CIEVOJLASA-N. The full InChI is InChI=1S/2C23H14FN2O.C18H14N.2C17H12N.2C13H12N.C12H10N.2C11H8N.5Ir/c1-14-8-9-19-18-6-3-7-20(22(18)27-23(19)26-14)21-13-16(10-11-25-21)15-4-2-5-17(24)12-15;1-14-5-10-19-18-3-2-4-20(22(18)27-23(19)26-14)21-13-16(11-12-25-21)15-6-8-17(24)9-7-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2-6,8-13H,1H3;2-3,5-13H,1H3;2-5,7-13H,1H3;2*1-9,11-13H;2*3-6,8-9H,1-2H3;2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;/i;;1D3;;;2*2D3;;;;;;;;.

What are the key properties of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine?

8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 3222.88 g/mol, XLogP of 39.14, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 157265075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).