3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C28H21N3O2 — CID 5327656

IUPAC3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H21N3O2/c1-30-16-21(19-11-5-7-13-23(19)30)25-26(28(33)29-27(25)32)22-17-31(15-18-9-3-2-4-10-18)24-14-8-6-12-20(22)24/h2-14,16-17H,15H2,1H3,(H,29,32,33)
InChIKeyHSFXDRBLOFSTNL-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.75
Rot. Bonds4

About 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327656) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327656
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H21N3O2/c1-30-16-21(19-11-5-7-13-23(19)30)25-26(28(33)29-27(25)32)22-17-31(15-18-9-3-2-4-10-18)24-14-8-6-12-20(22)24/h2-14,16-17H,15H2,1H3,(H,29,32,33)
InChIKeyHSFXDRBLOFSTNL-UHFFFAOYSA-N
XLogP4.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327656) is 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is HSFXDRBLOFSTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-30-16-21(19-11-5-7-13-23(19)30)25-26(28(33)29-27(25)32)22-17-31(15-18-9-3-2-4-10-18)24-14-8-6-12-20(22)24/h2-14,16-17H,15H2,1H3,(H,29,32,33).
What are the key properties of 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 431.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).