3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione

C22H12O4 — CID 86004685

IUPAC3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione
SMILESO=C1Oc2c3c(ccc2=C1c1ccccc1)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C22H12O4/c23-21-17(13-7-3-1-4-8-13)15-11-12-16-18(14-9-5-2-6-10-14)22(24)26-20(16)19(15)25-21/h1-12H
InChIKeyAXCXUBGUABXPJO-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.92
Rot. Bonds2

About 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione

3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione (PubChem CID 86004685) has the molecular formula C22H12O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione.

Molecular Properties

Compound Name3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione
PubChem CID86004685
Molecular FormulaC22H12O4
Molecular Weight340.33 g/mol
Exact Mass340.07
IUPAC Name3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione
SMILESO=C1Oc2c3c(ccc2=C1c1ccccc1)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C22H12O4/c23-21-17(13-7-3-1-4-8-13)15-11-12-16-18(14-9-5-2-6-10-14)22(24)26-20(16)19(15)25-21/h1-12H
InChIKeyAXCXUBGUABXPJO-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione?
The IUPAC name of 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione (CID 86004685) is 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione.
What is the SMILES notation for 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione?
The canonical SMILES for 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione is O=C1Oc2c3c(ccc2=C1c1ccccc1)=C(c1ccccc1)C(=O)O3.
What is the InChIKey of 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione?
The InChIKey is AXCXUBGUABXPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O4/c23-21-17(13-7-3-1-4-8-13)15-11-12-16-18(14-9-5-2-6-10-14)22(24)26-20(16)19(15)25-21/h1-12H.
What are the key properties of 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione?
3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione has a molecular weight of 340.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylfuro[3,2-g][1]benzofuran-2,7-dione is sourced from PubChem (CID 86004685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).