[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane

C40H35NSSi — CID 170566811

About [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane (PubChem CID 170566811) has the molecular formula C40H35NSSi and a molecular weight of 589.88 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
• PubChem CID: 170566811
• Molecular Formula: C40H35NSSi
• Molecular Weight: 589.88 g/mol
• Exact Mass: 589.23
• IUPAC Name: [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
• SMILES: Cc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
• InChI: InChI=1S/C40H35NSSi/c1-28-34-24-25-41-37(30-26-29-16-14-15-23-35(29)36(27-30)40(2,3)4)38(34)42-39(28)43(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-27H,1-4H3
• InChIKey: RAQQPCATWXZKEO-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.88
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?

The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane (CID 170566811) is [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane.

What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?

The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane is Cc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.

What is the InChIKey of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?

The InChIKey is RAQQPCATWXZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35NSSi/c1-28-34-24-25-41-37(30-26-29-16-14-15-23-35(29)36(27-30)40(2,3)4)38(34)42-39(28)43(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-27H,1-4H3.

What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane?

[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane has a molecular weight of 589.88 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane is sourced from PubChem (CID 170566811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).