trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane

C27H28N2OSi — CID 170932085

About trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane

trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane (PubChem CID 170932085) has the molecular formula C27H28N2OSi and a molecular weight of 424.62 g/mol. Its IUPAC name is trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
• PubChem CID: 170932085
• Molecular Formula: C27H28N2OSi
• Molecular Weight: 424.62 g/mol
• Exact Mass: 424.20
• IUPAC Name: trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
• SMILES: CC(C)Cc1cccc2c1oc1c(-c3cc([Si](C)(C)C)c4ccccc4c3)ncnc12
• InChI: InChI=1S/C27H28N2OSi/c1-17(2)13-19-10-8-12-22-25-27(30-26(19)22)24(28-16-29-25)20-14-18-9-6-7-11-21(18)23(15-20)31(3,4)5/h6-12,14-17H,13H2,1-5H3
• InChIKey: YMUJLZLVLLFHKM-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.62
LogP ≤ 5	6.94
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 trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane?

The IUPAC name of trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane (CID 170932085) is trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane.

What is the SMILES notation for trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane?

The canonical SMILES for trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane is CC(C)Cc1cccc2c1oc1c(-c3cc([Si](C)(C)C)c4ccccc4c3)ncnc12.

What is the InChIKey of trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane?

The InChIKey is YMUJLZLVLLFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OSi/c1-17(2)13-19-10-8-12-22-25-27(30-26(19)22)24(28-16-29-25)20-14-18-9-6-7-11-21(18)23(15-20)31(3,4)5/h6-12,14-17H,13H2,1-5H3.

What are the key properties of trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane?

trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane has a molecular weight of 424.62 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane is sourced from PubChem (CID 170932085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).