bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine

C96H75Ir3N9- — CID 158664075

About bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine

bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (PubChem CID 158664075) has the molecular formula C96H75Ir3N9- and a molecular weight of 1938.41 g/mol. Its IUPAC name is bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
• PubChem CID: 158664075
• Molecular Formula: C96H75Ir3N9-
• Molecular Weight: 1938.41 g/mol
• Exact Mass: 1939.55
• IUPAC Name: bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1[c-]c(-c2ncc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1
• InChI: InChI=1S/2C18H14N.C15H12N2.C12H11N2.3C11H8N.3Ir/c1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-12H,13H2;2-10,12-13H,1H3;1-9,11-13H;2-7H,8H2,1H3;3*1-6,8-9H;;;/q+1;-1;-2;+1;3*-1;;;+3/i;;;;1D,2D,3D,4D,5D,6D,8D
• InChIKey: DLWJJJXIIOVLMC-UHWYBMCLSA-N
• XLogP: 20.94
• TPSA: 78.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1938.41
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The IUPAC name of bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine (CID 158664075) is bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine.

What is the SMILES notation for bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The canonical SMILES for bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc[n+]2c(n1)-c1ccccc1C2.[2H]c1[c-]c(-c2ncc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.c1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3)cc1.

What is the InChIKey of bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

The InChIKey is DLWJJJXIIOVLMC-UHWYBMCLSA-N. The full InChI is InChI=1S/2C18H14N.C15H12N2.C12H11N2.3C11H8N.3Ir/c1-2-6-14(7-3-1)15-9-10-16-13-19-11-5-4-8-18(19)17(16)12-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-9-6-7-14-8-10-4-2-3-5-11(10)12(14)13-9;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-12H,13H2;2-10,12-13H,1H3;1-9,11-13H;2-7H,8H2,1H3;3*1-6,8-9H;;;/q+1;-1;-2;+1;3*-1;;;+3/i;;;;1D,2D,3D,4D,5D,6D,8D;;;;;.

What are the key properties of bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine?

bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine has a molecular weight of 1938.41 g/mol, XLogP of 20.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6H-pyrimido[2,1-a]isoindol-5-ium;1-phenyl-3-phenyl-2H-imidazol-2-ide;bis(2-phenylpyridine);9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 158664075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).