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

C22H16N2O3 — CID 14525661

IUPAC3,4-bis(1-methylindol-3-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C22H16N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(26)27-21(19)25)16-12-24(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyZQBMJJMHPOEJAM-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.66
Rot. Bonds2

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

3,4-bis(1-methylindol-3-yl)furan-2,5-dione (PubChem CID 14525661) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3,4-bis(1-methylindol-3-yl)furan-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1-methylindol-3-yl)furan-2,5-dione
PubChem CID14525661
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name3,4-bis(1-methylindol-3-yl)furan-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C22H16N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(26)27-21(19)25)16-12-24(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeyZQBMJJMHPOEJAM-UHFFFAOYSA-N
XLogP3.66
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate
CID 15163046
methyl 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]propanoate
CID 18780303
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 19696434
3-(1-methylindol-3-yl)-4-[1-(3,4,5-trihydroxyoxan-2-yl)indol-3-yl]furan-2,5-dione
CID 4639346
3-[(11S,15R)-13-methyl-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraen-8-yl]-4-(1-methylindol-3-yl)furan-2,5-dione
CID 22850690
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 134136349
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methyl-3-(4-methylphenyl)indole
CID 58931542
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
6-methyl-4-(1-methylindol-3-yl)chromen-2-one
CID 132548044

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1-methylindol-3-yl)furan-2,5-dione?
The IUPAC name of 3,4-bis(1-methylindol-3-yl)furan-2,5-dione (CID 14525661) is 3,4-bis(1-methylindol-3-yl)furan-2,5-dione.
What is the SMILES notation for 3,4-bis(1-methylindol-3-yl)furan-2,5-dione?
The canonical SMILES for 3,4-bis(1-methylindol-3-yl)furan-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21.
What is the InChIKey of 3,4-bis(1-methylindol-3-yl)furan-2,5-dione?
The InChIKey is ZQBMJJMHPOEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(26)27-21(19)25)16-12-24(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3.
What are the key properties of 3,4-bis(1-methylindol-3-yl)furan-2,5-dione?
3,4-bis(1-methylindol-3-yl)furan-2,5-dione has a molecular weight of 356.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1-methylindol-3-yl)furan-2,5-dione is sourced from PubChem (CID 14525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).