9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H19NO6 — CID 163027253

IUPAC9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCn1cc(C=C2Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c2ccccc21
InChIInChI=1S/C28H19NO6/c1-29-13-16(17-4-2-3-5-20(17)29)11-24-27(31)18-7-9-22-26(28(18)35-24)19(12-25(30)34-22)15-6-8-21-23(10-15)33-14-32-21/h2-11,13,19H,12,14H2,1H3
InChIKeyMTGWZFWEIDFPEI-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.96
Rot. Bonds2

About 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163027253) has the molecular formula C28H19NO6 and a molecular weight of 465.46 g/mol. Its IUPAC name is 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163027253
Molecular FormulaC28H19NO6
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC Name9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCn1cc(C=C2Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c2ccccc21
InChIInChI=1S/C28H19NO6/c1-29-13-16(17-4-2-3-5-20(17)29)11-24-27(31)18-7-9-22-26(28(18)35-24)19(12-25(30)34-22)15-6-8-21-23(10-15)33-14-32-21/h2-11,13,19H,12,14H2,1H3
InChIKeyMTGWZFWEIDFPEI-UHFFFAOYSA-N
XLogP4.96
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163027253) is 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is Cn1cc(C=C2Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c2ccccc21.
What is the InChIKey of 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is MTGWZFWEIDFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO6/c1-29-13-16(17-4-2-3-5-20(17)29)11-24-27(31)18-7-9-22-26(28(18)35-24)19(12-25(30)34-22)15-6-8-21-23(10-15)33-14-32-21/h2-11,13,19H,12,14H2,1H3.
What are the key properties of 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 465.46 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163027253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).