2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine

C73H56FIr4N5-4 — CID 158946315

About 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine

2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 158946315) has the molecular formula C73H56FIr4N5-4 and a molecular weight of 1791.15 g/mol. Its IUPAC name is 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
• PubChem CID: 158946315
• Molecular Formula: C73H56FIr4N5-4
• Molecular Weight: 1791.15 g/mol
• Exact Mass: 1793.31
• IUPAC Name: 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
• SMILES: C.Cc1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1
• InChI: InChI=1S/C19H13N2.C18H13FN.C18H14N.C17H12N.CH4.4Ir/c1-14-6-11-19(21-13-14)17-5-3-4-16(12-17)15-7-9-18(20-2)10-8-15;1-13-7-10-18(20-12-13)15-8-9-17(19)16(11-15)14-5-3-2-4-6-14;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;;;;/h3-4,6-13H,1H3;2-7,9-12H,1H3;2-8,10-13H,1H3;1-9,11-13H;1H4;;;;/q4*-1
• InChIKey: QGYWSALGRYSQDH-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 55.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1791.15
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 158946315) is 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine is C.Cc1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[C-]#[N+]c1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.

What is the InChIKey of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The InChIKey is QGYWSALGRYSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2.C18H13FN.C18H14N.C17H12N.CH4.4Ir/c1-14-6-11-19(21-13-14)17-5-3-4-16(12-17)15-7-9-18(20-2)10-8-15;1-13-7-10-18(20-12-13)15-8-9-17(19)16(11-15)14-5-3-2-4-6-14;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;;;;/h3-4,6-13H,1H3;2-7,9-12H,1H3;2-8,10-13H,1H3;1-9,11-13H;1H4;;;;/q4*-1;;;;;.

What are the key properties of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 1791.15 g/mol, XLogP of 19.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 158946315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).