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

C28H16O6Si — CID 20584035

IUPAC5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C28H16O6Si/c29-25-21-13-11-19(15-23(21)27(31)33-25)35(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22-24(16-20)28(32)34-26(22)30/h1-16H
InChIKeyHHOBOAGPSHTOEE-UHFFFAOYSA-N
MW476.52 g/mol
LogP1.69
Rot. Bonds4

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

5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione (PubChem CID 20584035) has the molecular formula C28H16O6Si and a molecular weight of 476.52 g/mol. Its IUPAC name is 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione
PubChem CID20584035
Molecular FormulaC28H16O6Si
Molecular Weight476.52 g/mol
Exact Mass476.07
IUPAC Name5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C28H16O6Si/c29-25-21-13-11-19(15-23(21)27(31)33-25)35(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22-24(16-20)28(32)34-26(22)30/h1-16H
InChIKeyHHOBOAGPSHTOEE-UHFFFAOYSA-N
XLogP1.69
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione (CID 20584035) is 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is HHOBOAGPSHTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16O6Si/c29-25-21-13-11-19(15-23(21)27(31)33-25)35(17-7-3-1-4-8-17,18-9-5-2-6-10-18)20-12-14-22-24(16-20)28(32)34-26(22)30/h1-16H.
What are the key properties of 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione?
5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 476.52 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 20584035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).