[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)

C86H72Ir2N4Si4-4 — CID 163415532

About [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)

[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine) (PubChem CID 163415532) has the molecular formula C86H72Ir2N4Si4-4 and a molecular weight of 1658.33 g/mol. Its IUPAC name is [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine).

Molecular Properties

• Compound Name: [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)
• PubChem CID: 163415532
• Molecular Formula: C86H72Ir2N4Si4-4
• Molecular Weight: 1658.33 g/mol
• Exact Mass: 1658.41
• IUPAC Name: [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)
• SMILES: C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2[Si](C)(C)c2ccccc2-3)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C37H30NSi2.C27H26NSi2.2C11H8N.2Ir/c1-39(2,28-15-6-3-7-16-28)31-25-26-35(38-27-31)34-23-14-22-33-32-21-12-13-24-36(32)40(37(33)34,29-17-8-4-9-18-29)30-19-10-5-11-20-30;1-29(2,20-11-6-5-7-12-20)21-17-18-25(28-19-21)24-15-10-14-23-22-13-8-9-16-26(22)30(3,4)27(23)24;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3-22,24-27H,1-2H3;5-14,16-19H,1-4H3;2*1-6,8-9H;;/q4*-1
• InChIKey: FVPFKXWIOZMQGC-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1658.33
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)?

The IUPAC name of [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine) (CID 163415532) is [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine).

What is the SMILES notation for [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)?

The canonical SMILES for [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine) is C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2[Si](C)(C)c2ccccc2-3)nc1.C[Si](C)(c1ccccc1)c1ccc(-c2[c-]ccc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)nc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)?

The InChIKey is FVPFKXWIOZMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30NSi2.C27H26NSi2.2C11H8N.2Ir/c1-39(2,28-15-6-3-7-16-28)31-25-26-35(38-27-31)34-23-14-22-33-32-21-12-13-24-36(32)40(37(33)34,29-17-8-4-9-18-29)30-19-10-5-11-20-30;1-29(2,20-11-6-5-7-12-20)21-17-18-25(28-19-21)24-15-10-14-23-22-13-8-9-16-26(22)30(3,4)27(23)24;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3-22,24-27H,1-2H3;5-14,16-19H,1-4H3;2*1-6,8-9H;;/q4*-1;;.

What are the key properties of [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)?

[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine) has a molecular weight of 1658.33 g/mol, XLogP of 14.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine) is sourced from PubChem (CID 163415532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).