[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione

C29H10O11 — CID 158669225

IUPAC[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
SMILESC=C1OC(=O)c2c1ccc1c3c(ccc21)C(=O)OC3=O.O=c1oc(=O)c2c1ccc1c2ccc2c(=O)oc(=O)c21
InChIInChI=1S/C15H6O5.C14H4O6/c1-6-7-2-3-9-8(11(7)14(17)19-6)4-5-10-12(9)15(18)20-13(10)16;15-11-7-3-1-5-6(10(7)14(18)19-11)2-4-8-9(5)13(17)20-12(8)16/h2-5H,1H2;1-4H
InChIKeyIDSVWZIUZFMBPG-UHFFFAOYSA-N
MW534.39 g/mol
LogP2.94
Rot. Bonds

About [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione

[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione (PubChem CID 158669225) has the molecular formula C29H10O11 and a molecular weight of 534.39 g/mol. Its IUPAC name is [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione.

Molecular Properties

Compound Name[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
PubChem CID158669225
Molecular FormulaC29H10O11
Molecular Weight534.39 g/mol
Exact Mass534.02
IUPAC Name[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
SMILESC=C1OC(=O)c2c1ccc1c3c(ccc21)C(=O)OC3=O.O=c1oc(=O)c2c1ccc1c2ccc2c(=O)oc(=O)c21
InChIInChI=1S/C15H6O5.C14H4O6/c1-6-7-2-3-9-8(11(7)14(17)19-6)4-5-10-12(9)15(18)20-13(10)16;15-11-7-3-1-5-6(10(7)14(18)19-11)2-4-8-9(5)13(17)20-12(8)16/h2-5H,1H2;1-4H
InChIKeyIDSVWZIUZFMBPG-UHFFFAOYSA-N
XLogP2.94
TPSA164.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624
6-bromobenzo[e][2]benzofuran-1,3-dione
CID 87755748
11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone
CID 56611654
5-hydroxynaphtho[2,1-e][2]benzofuran-1,3-dione
CID 11402825
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 131738135
7-oxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 21133094
7,8-bis(ethenyl)benzo[e][2]benzofuran-1,3-dione
CID 144902513
6-methylidene-4-phenylfuro[3,4-e][2]benzofuran-1,3,8-trione
CID 143653389
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone
CID 56622055
4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
naphtho[1,2-c]chromen-5-one
CID 102526290

Frequently Asked Questions

What is the IUPAC name of [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione?
The IUPAC name of [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione (CID 158669225) is [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione.
What is the SMILES notation for [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione?
The canonical SMILES for [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione is C=C1OC(=O)c2c1ccc1c3c(ccc21)C(=O)OC3=O.O=c1oc(=O)c2c1ccc1c2ccc2c(=O)oc(=O)c21.
What is the InChIKey of [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione?
The InChIKey is IDSVWZIUZFMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6O5.C14H4O6/c1-6-7-2-3-9-8(11(7)14(17)19-6)4-5-10-12(9)15(18)20-13(10)16;15-11-7-3-1-5-6(10(7)14(18)19-11)2-4-8-9(5)13(17)20-12(8)16/h2-5H,1H2;1-4H.
What are the key properties of [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione?
[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione has a molecular weight of 534.39 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione is sourced from PubChem (CID 158669225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).