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

C58H34N2OS3Si — CID 140811679

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

(6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (PubChem CID 140811679) has the molecular formula C58H34N2OS3Si and a molecular weight of 899.21 g/mol. Its IUPAC name is (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.

Molecular Properties

• Compound Name: (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
• PubChem CID: 140811679
• Molecular Formula: C58H34N2OS3Si
• Molecular Weight: 899.21 g/mol
• Exact Mass: 898.16
• IUPAC Name: (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-c4cccc5c4oc4ccccc45)cc23)c2nccc3c2sc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1
• InChI: InChI=1S/C58H34N2OS3Si/c1-3-13-37(14-4-1)65(38-15-5-2-6-16-38,57-55-45(29-31-59-57)47-33-35(25-27-51(47)63-55)39-19-11-21-43-41-17-7-9-23-49(41)61-53(39)43)58-56-46(30-32-60-58)48-34-36(26-28-52(48)64-56)40-20-12-22-44-42-18-8-10-24-50(42)62-54(40)44/h1-34H
• InChIKey: FNKMREUEEFLSJH-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'}

Frequently Asked Questions

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

The IUPAC name of (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane (CID 140811679) is (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane.

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

The canonical SMILES for (6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2sc2ccc(-c4cccc5c4oc4ccccc45)cc23)c2nccc3c2sc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1.

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

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

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

(6-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-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-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(6-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenylsilane is sourced from PubChem (CID 140811679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).