trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane

C28H29NSSi — CID 170932025

About trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane

trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane (PubChem CID 170932025) has the molecular formula C28H29NSSi and a molecular weight of 439.70 g/mol. Its IUPAC name is trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
• PubChem CID: 170932025
• Molecular Formula: C28H29NSSi
• Molecular Weight: 439.70 g/mol
• Exact Mass: 439.18
• IUPAC Name: trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
• SMILES: CC(C)Cc1cccc2c1sc1c(-c3cc([Si](C)(C)C)c4ccccc4c3)nccc12
• InChI: InChI=1S/C28H29NSSi/c1-18(2)15-20-10-8-12-23-24-13-14-29-26(28(24)30-27(20)23)21-16-19-9-6-7-11-22(19)25(17-21)31(3,4)5/h6-14,16-18H,15H2,1-5H3
• InChIKey: MEJXIRPWBCXWOC-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.70
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane?

The IUPAC name of trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane (CID 170932025) is trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane.

What is the SMILES notation for trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane?

The canonical SMILES for trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane is CC(C)Cc1cccc2c1sc1c(-c3cc([Si](C)(C)C)c4ccccc4c3)nccc12.

What is the InChIKey of trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane?

The InChIKey is MEJXIRPWBCXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NSSi/c1-18(2)15-20-10-8-12-23-24-13-14-29-26(28(24)30-27(20)23)21-16-19-9-6-7-11-22(19)25(17-21)31(3,4)5/h6-14,16-18H,15H2,1-5H3.

What are the key properties of trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane?

trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane has a molecular weight of 439.70 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane is sourced from PubChem (CID 170932025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).