[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

C58H34N2OS3Si — CID 140811632

About [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane

[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 140811632) has the molecular formula C58H34N2OS3Si and a molecular weight of 899.21 g/mol. Its IUPAC name is [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

• Compound Name: [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
• PubChem CID: 140811632
• Molecular Formula: C58H34N2OS3Si
• Molecular Weight: 899.21 g/mol
• Exact Mass: 898.16
• IUPAC Name: [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4nccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1
• InChI: InChI=1S/C58H34N2OS3Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,49-29-13-22-40-39-21-11-25-45(53(39)61-54(40)49)51-57-43(31-33-59-51)37-19-7-9-27-47(37)62-57)50-30-14-24-42-41-23-12-26-46(55(41)64-56(42)50)52-58-44(32-34-60-52)38-20-8-10-28-48(38)63-58/h1-34H
• InChIKey: DCRNNFASOSGFJM-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 38.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.21
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?

The IUPAC name of [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane (CID 140811632) is [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane.

What is the SMILES notation for [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?

The canonical SMILES for [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4nccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4nccc5c4sc4ccccc45)cccc23)cc1.

What is the InChIKey of [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?

The InChIKey is DCRNNFASOSGFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2OS3Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,49-29-13-22-40-39-21-11-25-45(53(39)61-54(40)49)51-57-43(31-33-59-51)37-19-7-9-27-47(37)62-57)50-30-14-24-42-41-23-12-26-46(55(41)64-56(42)50)52-58-44(32-34-60-52)38-20-8-10-28-48(38)63-58/h1-34H.

What are the key properties of [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane?

[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane has a molecular weight of 899.21 g/mol, XLogP of 14.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 140811632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).