3,4-bis(1H-indol-3-yl)furan-2,5-dione

C20H12N2O3 — CID 5327652

IUPAC3,4-bis(1H-indol-3-yl)furan-2,5-dione
SMILESO=C1OC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H12N2O3/c23-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(24)25-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H
InChIKeyBEDSOEWYLAPDOL-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.64
Rot. Bonds2

About 3,4-bis(1H-indol-3-yl)furan-2,5-dione

3,4-bis(1H-indol-3-yl)furan-2,5-dione (PubChem CID 5327652) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)furan-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)furan-2,5-dione
PubChem CID5327652
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name3,4-bis(1H-indol-3-yl)furan-2,5-dione
SMILESO=C1OC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H12N2O3/c23-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(24)25-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H
InChIKeyBEDSOEWYLAPDOL-UHFFFAOYSA-N
XLogP3.64
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indole-3-Acetic Acid
CID 802
Methyl indole-3-acetate
CID 74706
Carmoxirole
CID 57364
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
methyl 1H-indole-5-carboxylate
CID 2737635
Arcyriarubin A
CID 2399
5-Fluoroindole-3-acetic acid
CID 96750
methyl 1H-indole-4-carboxylate
CID 2733668
3-(1H-indol-3-yl)propanoate
CID 3292996
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl-
CID 452720
Bisindolylmaleimide III
CID 2398

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)furan-2,5-dione?
The IUPAC name of 3,4-bis(1H-indol-3-yl)furan-2,5-dione (CID 5327652) is 3,4-bis(1H-indol-3-yl)furan-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)furan-2,5-dione?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)furan-2,5-dione is O=C1OC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)furan-2,5-dione?
The InChIKey is BEDSOEWYLAPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(24)25-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H.
What are the key properties of 3,4-bis(1H-indol-3-yl)furan-2,5-dione?
3,4-bis(1H-indol-3-yl)furan-2,5-dione has a molecular weight of 328.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)furan-2,5-dione is sourced from PubChem (CID 5327652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).