bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane

C56H32N4O4Si — CID 140811588

About bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane

bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane (PubChem CID 140811588) has the molecular formula C56H32N4O4Si and a molecular weight of 852.98 g/mol. Its IUPAC name is bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane.

Molecular Properties

• Compound Name: bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
• PubChem CID: 140811588
• Molecular Formula: C56H32N4O4Si
• Molecular Weight: 852.98 g/mol
• Exact Mass: 852.22
• IUPAC Name: bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-c4nccc5c4oc4ccccc45)cc23)c2nccc3c2oc2ccc(-c4nccc5c4oc4ccccc45)cc23)cc1
• InChI: InChI=1S/C56H32N4O4Si/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-41(25-29-59-55)43-31-33(19-21-47(43)63-53)49-51-39(23-27-57-49)37-15-7-9-17-45(37)61-51)56-54-42(26-30-60-56)44-32-34(20-22-48(44)64-54)50-52-40(24-28-58-50)38-16-8-10-18-46(38)62-52/h1-32H
• InChIKey: BCGXJDPYRQGVAJ-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 104.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.98
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?

The IUPAC name of bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane (CID 140811588) is bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane.

What is the SMILES notation for bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?

The canonical SMILES for bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2nccc3c2oc2ccc(-c4nccc5c4oc4ccccc45)cc23)c2nccc3c2oc2ccc(-c4nccc5c4oc4ccccc45)cc23)cc1.

What is the InChIKey of bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?

The InChIKey is BCGXJDPYRQGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O4Si/c1-3-11-35(12-4-1)65(36-13-5-2-6-14-36,55-53-41(25-29-59-55)43-31-33(19-21-47(43)63-53)49-51-39(23-27-57-49)37-15-7-9-17-45(37)61-51)56-54-42(26-30-60-56)44-32-34(20-22-48(44)64-54)50-52-40(24-28-58-50)38-16-8-10-18-46(38)62-52/h1-32H.

What are the key properties of bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane?

bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane has a molecular weight of 852.98 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane is sourced from PubChem (CID 140811588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).