tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine

C115H86Ir4N8-8 — CID 160734871

About tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine

tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (PubChem CID 160734871) has the molecular formula C115H86Ir4N8-8 and a molecular weight of 2369.00 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
• PubChem CID: 160734871
• Molecular Formula: C115H86Ir4N8-8
• Molecular Weight: 2369.00 g/mol
• Exact Mass: 2370.68
• IUPAC Name: tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.[2H]c1[c-]c(-c2nc([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1[c-]c(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C18H14N.3C17H12N.2C12H10N.2C11H8N.4Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-10,12-13H,1H3;3*1-9,11-13H;2-7,9H,1H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,11D,12D,13D;;;;;1D,2D,3D,4D,5D,6D,8D,9D
• InChIKey: RNTKXCSWMBGDFA-KSBZQVOUSA-N
• XLogP: 27.97
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2369.00
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The IUPAC name of tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (CID 160734871) is tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.

What is the SMILES notation for tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The canonical SMILES for tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.[2H]c1[c-]c(-c2nc([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[2H]c1[c-]c(-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The InChIKey is RNTKXCSWMBGDFA-KSBZQVOUSA-N. The full InChI is InChI=1S/C18H14N.3C17H12N.2C12H10N.2C11H8N.4Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;3*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-10,12-13H,1H3;3*1-9,11-13H;2-7,9H,1H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,11D,12D,13D;;;;;1D,2D,3D,4D,5D,6D,8D,9D;;;;;.

What are the key properties of tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine has a molecular weight of 2369.00 g/mol, XLogP of 27.97, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;2,4,5-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 160734871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).