3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione

C29H25N3O2 — CID 4313715

IUPAC3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C29H25N3O2/c33-28-16-24(29(34)32(28)15-14-21-17-30-26-12-6-4-10-22(21)26)25-19-31(18-20-8-2-1-3-9-20)27-13-7-5-11-23(25)27/h1-13,17,19,24,30H,14-16,18H2
InChIKeyDOCWRDCHTGLTCR-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.26
Rot. Bonds6

About 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione

3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 4313715) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID4313715
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C29H25N3O2/c33-28-16-24(29(34)32(28)15-14-21-17-30-26-12-6-4-10-22(21)26)25-19-31(18-20-8-2-1-3-9-20)27-13-7-5-11-23(25)27/h1-13,17,19,24,30H,14-16,18H2
InChIKeyDOCWRDCHTGLTCR-UHFFFAOYSA-N
XLogP5.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione (CID 4313715) is 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione is O=C1CC(c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is DOCWRDCHTGLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c33-28-16-24(29(34)32(28)15-14-21-17-30-26-12-6-4-10-22(21)26)25-19-31(18-20-8-2-1-3-9-20)27-13-7-5-11-23(25)27/h1-13,17,19,24,30H,14-16,18H2.
What are the key properties of 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 447.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4313715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).