3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione

C29H23N3O2 — CID 148910370

IUPAC3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(CCc3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C29H23N3O2/c1-31-28(33)26(22-17-30-24-13-7-5-11-20(22)24)27(29(31)34)23-18-32(25-14-8-6-12-21(23)25)16-15-19-9-3-2-4-10-19/h2-14,17-18,30H,15-16H2,1H3
InChIKeyPIMWTRGTXQGEIB-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.27
Rot. Bonds5

About 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 148910370) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID148910370
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(CCc3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C29H23N3O2/c1-31-28(33)26(22-17-30-24-13-7-5-11-20(22)24)27(29(31)34)23-18-32(25-14-8-6-12-21(23)25)16-15-19-9-3-2-4-10-19/h2-14,17-18,30H,15-16H2,1H3
InChIKeyPIMWTRGTXQGEIB-UHFFFAOYSA-N
XLogP5.27
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.27
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-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione (CID 148910370) is 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione is CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(CCc3ccccc3)c3ccccc23)C1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is PIMWTRGTXQGEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c1-31-28(33)26(22-17-30-24-13-7-5-11-20(22)24)27(29(31)34)23-18-32(25-14-8-6-12-21(23)25)16-15-19-9-3-2-4-10-19/h2-14,17-18,30H,15-16H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 445.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 148910370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).