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

C20H13N3O2 — CID 2399

IUPAC3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
InChIKeyDQYBRTASHMYDJG-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.22
Rot. Bonds2

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

3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 2399) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID2399
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
InChIKeyDQYBRTASHMYDJG-UHFFFAOYSA-N
XLogP3.22
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indoramin
CID 33625
3,3'-Diindolylmethane
CID 3071
Enzastaurin
CID 176167
Tivantinib
CID 11494412
Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Macimorelin
CID 9804938
Indole-3-acetamide
CID 397
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Indole-5-carboxamide
CID 14973220
FG-7142
CID 4375

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione (CID 2399) is 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is DQYBRTASHMYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25).
What are the key properties of 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione?
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 327.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 2399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).