pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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

C143H106Ir5N10-10 — CID 160862348

About pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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

pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 160862348) has the molecular formula C143H106Ir5N10-10 and a molecular weight of 2951.73 g/mol. Its IUPAC name is pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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: pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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: 160862348
• Molecular Formula: C143H106Ir5N10-10
• Molecular Weight: 2951.73 g/mol
• Exact Mass: 2953.84
• IUPAC Name: pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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: Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-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].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/5C17H12N.3C12H10N.2C11H8N.5Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;3*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;;;;;/h5*1-9,11-13H;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,11D,12D,13D;;;;2*1D3;;1D,2D,3D,4D,5D,6D,8D,9D
• InChIKey: PYIQFSUBQODXTH-OMWZIRKZSA-N
• XLogP: 34.74
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2951.73
LogP ≤ 5	34.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 160862348) is pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-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].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 PYIQFSUBQODXTH-OMWZIRKZSA-N. The full InChI is InChI=1S/5C17H12N.3C12H10N.2C11H8N.5Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;3*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;;;;;/h5*1-9,11-13H;3*2-7,9H,1H3;2*1-6,8-9H;;;;;/q10*-1;;;;;/i;1D,2D,3D,4D,5D,6D,7D,8D,9D,11D,12D,13D;;;;2*1D3;;1D,2D,3D,4D,5D,6D,8D,9D;;;;;;.

What are the key properties of pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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?

pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 2951.73 g/mol, XLogP of 34.74, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(iridium);2-methyl-6-phenylpyridine;4-phenyl-2-phenylpyridine;tris(5-phenyl-2-phenylpyridine);2-phenylpyridine;bis(2-phenyl-6-(trideuteriomethyl)pyridine);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 160862348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).