tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane

C111H108Ir3N6S3Si3-6 — CID 158093741

About tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane

tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane (PubChem CID 158093741) has the molecular formula C111H108Ir3N6S3Si3-6 and a molecular weight of 2283.24 g/mol. Its IUPAC name is tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane.

Molecular Properties

• Compound Name: tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
• PubChem CID: 158093741
• Molecular Formula: C111H108Ir3N6S3Si3-6
• Molecular Weight: 2283.24 g/mol
• Exact Mass: 2283.60
• IUPAC Name: tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane
• SMILES: C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(C2CCCCC2)ccn1.[c-]1ccccc1-c1cc(C2CCCCC2)ccn1.[c-]1ccccc1-c1cc(C2CCCCC2)ccn1
• InChI: InChI=1S/3C20H18NSSi.3C17H18N.3Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;;;/h4-9,11-13H,1-3H3;2*4-7,9-13H,1-3H3;3*2,5-6,9,11-14H,1,3-4,7-8H2;;;/q6*-1
• InChIKey: SSMCQUSJLXXQOD-UHFFFAOYSA-N
• XLogP: 30.17
• TPSA: 77.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2283.24
LogP ≤ 5	30.17
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'}

Frequently Asked Questions

What is the IUPAC name of tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The IUPAC name of tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane (CID 158093741) is tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane.

What is the SMILES notation for tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The canonical SMILES for tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane is C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccccn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2c1sc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(C2CCCCC2)ccn1.[c-]1ccccc1-c1cc(C2CCCCC2)ccn1.[c-]1ccccc1-c1cc(C2CCCCC2)ccn1.

What is the InChIKey of tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

The InChIKey is SSMCQUSJLXXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18NSSi.3C17H18N.3Ir/c1-23(2,3)18-12-7-9-15-14-8-6-10-16(19(14)22-20(15)18)17-11-4-5-13-21-17;1-23(2,3)14-10-11-15-16-7-6-8-17(18-9-4-5-12-21-18)20(16)22-19(15)13-14;1-23(2,3)14-10-11-19-17(13-14)15-7-6-8-16(20(15)22-19)18-9-4-5-12-21-18;3*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;;;/h4-9,11-13H,1-3H3;2*4-7,9-13H,1-3H3;3*2,5-6,9,11-14H,1,3-4,7-8H2;;;/q6*-1;;;.

What are the key properties of tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane?

tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane has a molecular weight of 2283.24 g/mol, XLogP of 30.17, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-cyclohexyl-2-phenylpyridine);tris(iridium);trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-2-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-3-yl)silane;trimethyl-(6-pyridin-2-yl-7H-dibenzothiophen-7-id-4-yl)silane is sourced from PubChem (CID 158093741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).