2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide

C84H58F4Ir3N12-10 — CID 161279846

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide (PubChem CID 161279846) has the molecular formula C84H58F4Ir3N12-10 and a molecular weight of 1888.11 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide
• PubChem CID: 161279846
• Molecular Formula: C84H58F4Ir3N12-10
• Molecular Weight: 1888.11 g/mol
• Exact Mass: 1889.38
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide
• SMILES: Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(F)cc(F)c1-c1ccccn1.Cc1ccccc1-c1ccc2ccccc2n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
• InChI: InChI=1S/C16H13N.C15H10N.C12H9F2N.2C12H10N.C11H6F2N.6CN.3Ir/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-8-6-9(13)7-10(14)12(8)11-4-2-3-5-15-11;2*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-2;;;/h2-11H,1H3;1-6,8-11H;2-7H,1H3;2*2-7,9H,1H3;1-4,6-7H;;;;;;;;;/q;-1;;9*-1
• InChIKey: MTOUIGZLSQNMIQ-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 220.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.11
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide (CID 161279846) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide is Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(F)cc(F)c1-c1ccccn1.Cc1ccccc1-c1ccc2ccccc2n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide?

The InChIKey is MTOUIGZLSQNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C15H10N.C12H9F2N.2C12H10N.C11H6F2N.6CN.3Ir/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)17-16;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-8-6-9(13)7-10(14)12(8)11-4-2-3-5-15-11;2*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-2;;;/h2-11H,1H3;1-6,8-11H;2-7H,1H3;2*2-7,9H,1H3;1-4,6-7H;;;;;;;;;/q;-1;;9*-1;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide has a molecular weight of 1888.11 g/mol, XLogP of 20.36, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-6-methylphenyl)pyridine;tris(iridium);bis(2-(4-methylbenzene-6-id-1-yl)pyridine);2-(2-methylphenyl)quinoline;2-phenylquinoline;hexacyanide is sourced from PubChem (CID 161279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).