5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione

C32H12O12Si — CID 15216346

About 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione

5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione (PubChem CID 15216346) has the molecular formula C32H12O12Si and a molecular weight of 616.52 g/mol. Its IUPAC name is 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione.

Molecular Properties

• Compound Name: 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione
• PubChem CID: 15216346
• Molecular Formula: C32H12O12Si
• Molecular Weight: 616.52 g/mol
• Exact Mass: 616.01
• IUPAC Name: 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione
• SMILES: O=C1OC(=O)c2cc([Si](c3ccc4c(c3)C(=O)OC4=O)(c3ccc4c(c3)C(=O)OC4=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
• InChI: InChI=1S/C32H12O12Si/c33-25-17-5-1-13(9-21(17)29(37)41-25)45(14-2-6-18-22(10-14)30(38)42-26(18)34,15-3-7-19-23(11-15)31(39)43-27(19)35)16-4-8-20-24(12-16)32(40)44-28(20)36/h1-12H
• InChIKey: KUNFKVAUTHGPLU-UHFFFAOYSA-N
• XLogP: 0.31
• TPSA: 173.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.52
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione?

The IUPAC name of 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione (CID 15216346) is 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione.

What is the SMILES notation for 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione?

The canonical SMILES for 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc([Si](c3ccc4c(c3)C(=O)OC4=O)(c3ccc4c(c3)C(=O)OC4=O)c3ccc4c(c3)C(=O)OC4=O)ccc21.

What is the InChIKey of 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione?

The InChIKey is KUNFKVAUTHGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12O12Si/c33-25-17-5-1-13(9-21(17)29(37)41-25)45(14-2-6-18-22(10-14)30(38)42-26(18)34,15-3-7-19-23(11-15)31(39)43-27(19)35)16-4-8-20-24(12-16)32(40)44-28(20)36/h1-12H.

What are the key properties of 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione?

5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione has a molecular weight of 616.52 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 15216346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).