[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane

C40H29N3SeSi — CID 140742357

About [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane

[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane (PubChem CID 140742357) has the molecular formula C40H29N3SeSi and a molecular weight of 658.74 g/mol. Its IUPAC name is [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane.

Molecular Properties

• Compound Name: [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane
• PubChem CID: 140742357
• Molecular Formula: C40H29N3SeSi
• Molecular Weight: 658.74 g/mol
• Exact Mass: 659.13
• IUPAC Name: [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane
• SMILES: Cc1ccc2c(n1)[se]c1c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccccc5)n4)n3)cccc12
• InChI: InChI=1S/C40H29N3SeSi/c1-28-26-27-33-32-20-11-21-34(39(32)44-40(33)41-28)36-23-13-25-38(43-36)45(30-16-7-3-8-17-30,31-18-9-4-10-19-31)37-24-12-22-35(42-37)29-14-5-2-6-15-29/h2-27H,1H3
• InChIKey: WJDSFGSLQHDUCT-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.74
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane?

The IUPAC name of [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane (CID 140742357) is [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane.

What is the SMILES notation for [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane?

The canonical SMILES for [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane is Cc1ccc2c(n1)[se]c1c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccccc5)n4)n3)cccc12.

What is the InChIKey of [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane?

The InChIKey is WJDSFGSLQHDUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3SeSi/c1-28-26-27-33-32-20-11-21-34(39(32)44-40(33)41-28)36-23-13-25-38(43-36)45(30-16-7-3-8-17-30,31-18-9-4-10-19-31)37-24-12-22-35(42-37)29-14-5-2-6-15-29/h2-27H,1H3.

What are the key properties of [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane?

[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane has a molecular weight of 658.74 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane is sourced from PubChem (CID 140742357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).