trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane

C28H29NSSi — CID 170533921

About trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane

trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane (PubChem CID 170533921) has the molecular formula C28H29NSSi and a molecular weight of 439.70 g/mol. Its IUPAC name is trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
• PubChem CID: 170533921
• Molecular Formula: C28H29NSSi
• Molecular Weight: 439.70 g/mol
• Exact Mass: 439.18
• IUPAC Name: trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
• SMILES: Cc1ccc2c(sc3c(-c4cc(C(C)C)c5ccccc5c4)nccc32)c1[Si](C)(C)C
• InChI: InChI=1S/C28H29NSSi/c1-17(2)24-16-20(15-19-9-7-8-10-21(19)24)25-26-23(13-14-29-25)22-12-11-18(3)28(27(22)30-26)31(4,5)6/h7-17H,1-6H3
• InChIKey: ABKYRJDUNXFMLH-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.70
LogP ≤ 5	8.25
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-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane?

The IUPAC name of trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane (CID 170533921) is trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane.

What is the SMILES notation for trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane?

The canonical SMILES for trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane is Cc1ccc2c(sc3c(-c4cc(C(C)C)c5ccccc5c4)nccc32)c1[Si](C)(C)C.

What is the InChIKey of trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane?

The InChIKey is ABKYRJDUNXFMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NSSi/c1-17(2)24-16-20(15-19-9-7-8-10-21(19)24)25-26-23(13-14-29-25)22-12-11-18(3)28(27(22)30-26)31(4,5)6/h7-17H,1-6H3.

What are the key properties of trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane?

trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane has a molecular weight of 439.70 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane is sourced from PubChem (CID 170533921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).