iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)

C118H92Ir4N7-2 — CID 159856319

About iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)

iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine) (PubChem CID 159856319) has the molecular formula C118H92Ir4N7-2 and a molecular weight of 2376.95 g/mol. Its IUPAC name is iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine).

Molecular Properties

• Compound Name: iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)
• PubChem CID: 159856319
• Molecular Formula: C118H92Ir4N7-2
• Molecular Weight: 2376.95 g/mol
• Exact Mass: 2378.59
• IUPAC Name: iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)
• SMILES: CC(C)Cc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]cccc2)[c-]cc1-c1ccccc1.Cc1ccccc1-c1c[c-]c(-c2[c-]cccc2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1
• InChI: InChI=1S/2C19H14.C17H12N.C15H12N2.C15H16N.3C11H8N.4Ir/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)17-10-6-3-7-11-17;1-15-7-5-6-10-19(15)18-13-11-17(12-14-18)16-8-3-2-4-9-16;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*2-8,10-11,13-14H,1H3;1-9,11-13H;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;3*1-6,8-9H;;;;/q2*-2;-1;-2;4*-1;;3*+3
• InChIKey: NGDYGHLOBRJFJG-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 70.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2376.95
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)?

The IUPAC name of iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine) (CID 159856319) is iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine).

What is the SMILES notation for iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)?

The canonical SMILES for iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine) is CC(C)Cc1cccc(-c2[c-]cccc2)n1.Cc1cc(-c2[c-]cccc2)[c-]cc1-c1ccccc1.Cc1ccccc1-c1c[c-]c(-c2[c-]cccc2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.

What is the InChIKey of iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)?

The InChIKey is NGDYGHLOBRJFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14.C17H12N.C15H12N2.C15H16N.3C11H8N.4Ir/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)17-10-6-3-7-11-17;1-15-7-5-6-10-19(15)18-13-11-17(12-14-18)16-8-3-2-4-9-16;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2*2-8,10-11,13-14H,1H3;1-9,11-13H;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;3*1-6,8-9H;;;;/q2*-2;-1;-2;4*-1;;3*+3.

What are the key properties of iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine)?

iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine) has a molecular weight of 2376.95 g/mol, XLogP of 28.86, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;tris(iridium(3+));1-(2-methylphenyl)-4-phenylbenzene-5-ide;2-methyl-1-phenyl-4-phenylbenzene-5-ide;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenyl-3-phenyl-2H-imidazol-2-ide;tris(2-phenylpyridine) is sourced from PubChem (CID 159856319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).