3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione

C23H16N2O2 — CID 5327661

IUPAC3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H16N2O2/c1-25-13-18(16-10-4-5-12-19(16)25)21-20(22(26)24-23(21)27)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3,(H,24,26,27)
InChIKeySTTILKKNKXMNIF-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.90
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 5327661) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID5327661
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H16N2O2/c1-25-13-18(16-10-4-5-12-19(16)25)21-20(22(26)24-23(21)27)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3,(H,24,26,27)
InChIKeySTTILKKNKXMNIF-UHFFFAOYSA-N
XLogP3.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.90
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-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione (CID 5327661) is 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is STTILKKNKXMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-25-13-18(16-10-4-5-12-19(16)25)21-20(22(26)24-23(21)27)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3,(H,24,26,27).
What are the key properties of 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 352.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 5327661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).