tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide

C108H88Ir3N9Si3 — CID 157203214

About tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide

tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide (PubChem CID 157203214) has the molecular formula C108H88Ir3N9Si3 and a molecular weight of 2172.86 g/mol. Its IUPAC name is tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide
• PubChem CID: 157203214
• Molecular Formula: C108H88Ir3N9Si3
• Molecular Weight: 2172.86 g/mol
• Exact Mass: 2173.54
• IUPAC Name: tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide
• SMILES: CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1
• InChI: InChI=1S/3C23H18NSi.C15H12N2.C14H12N2.C10H10N2.3Ir/c3*1-4-12-20(13-5-1)25(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-24-23;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;/h3*1-16,18-19H;1-9,11-13H;2-7,9-11H,1H3;2-5,7-9H,1H3;;;/q3*-1;3*-2;3*+3
• InChIKey: GVTNOXLDTVIISF-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 58.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2172.86
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The IUPAC name of tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide (CID 157203214) is tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide.

What is the SMILES notation for tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The canonical SMILES for tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide is CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1N1C=CN(c2ccccc2)[CH-]1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccn1.

What is the InChIKey of tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide?

The InChIKey is GVTNOXLDTVIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H18NSi.C15H12N2.C14H12N2.C10H10N2.3Ir/c3*1-4-12-20(13-5-1)25(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-24-23;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;;/h3*1-16,18-19H;1-9,11-13H;2-7,9-11H,1H3;2-5,7-9H,1H3;;;/q3*-1;3*-2;3*+3.

What are the key properties of tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide?

tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide has a molecular weight of 2172.86 g/mol, XLogP of 15.20, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tris(diphenyl-phenyl-pyridin-2-ylsilane);tris(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-imidazol-2-ide is sourced from PubChem (CID 157203214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).