[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)

C74H72Ir2N4S2Si2-4 — CID 161010587

About [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)

[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine) (PubChem CID 161010587) has the molecular formula C74H72Ir2N4S2Si2-4 and a molecular weight of 1522.16 g/mol. Its IUPAC name is [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine).

Molecular Properties

• Compound Name: [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)
• PubChem CID: 161010587
• Molecular Formula: C74H72Ir2N4S2Si2-4
• Molecular Weight: 1522.16 g/mol
• Exact Mass: 1522.40
• IUPAC Name: [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)
• SMILES: C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C26H28NSSi.2C11H8N.2Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)24-16-14-20(26-25(24)21-11-7-8-12-23(21)28-26)22-15-13-19(17-27-22)18-9-5-4-6-10-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-13,15-18H,4-6,9-10H2,1-3H3;2*1-6,8-9H;;/q4*-1
• InChIKey: DNDQDCQNCVDEOC-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1522.16
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)?

The IUPAC name of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine) (CID 161010587) is [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine).

What is the SMILES notation for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)?

The canonical SMILES for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine) is C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)?

The InChIKey is DNDQDCQNCVDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28NSSi.2C11H8N.2Ir/c1-29(2,3)24-14-8-13-23-25(24)21-12-7-11-20(26(21)28-23)22-16-15-19(17-27-22)18-9-5-4-6-10-18;1-29(2,3)24-16-14-20(26-25(24)21-11-7-8-12-23(21)28-26)22-15-13-19(17-27-22)18-9-5-4-6-10-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h7-8,12-18H,4-6,9-10H2,1-3H3;7-8,11-13,15-18H,4-6,9-10H2,1-3H3;2*1-6,8-9H;;/q4*-1;;.

What are the key properties of [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine)?

[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine) has a molecular weight of 1522.16 g/mol, XLogP of 20.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;bis(iridium);bis(2-phenylpyridine) is sourced from PubChem (CID 161010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).