2-(anilinomethylidene)phenalene-1,3-dione

C20H13NO2 — CID 2784814

IUPAC2-(anilinomethylidene)phenalene-1,3-dione
SMILESO=c1c(=CNc2ccccc2)c(=O)c2cccc3cccc1c32
InChIInChI=1S/C20H13NO2/c22-19-15-10-4-6-13-7-5-11-16(18(13)15)20(23)17(19)12-21-14-8-2-1-3-9-14/h1-12,21H
InChIKeySULNBJOHVVTGIR-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.72
Rot. Bonds2

About 2-(anilinomethylidene)phenalene-1,3-dione

2-(anilinomethylidene)phenalene-1,3-dione (PubChem CID 2784814) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(anilinomethylidene)phenalene-1,3-dione.

Molecular Properties

Compound Name2-(anilinomethylidene)phenalene-1,3-dione
PubChem CID2784814
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-(anilinomethylidene)phenalene-1,3-dione
SMILESO=c1c(=CNc2ccccc2)c(=O)c2cccc3cccc1c32
InChIInChI=1S/C20H13NO2/c22-19-15-10-4-6-13-7-5-11-16(18(13)15)20(23)17(19)12-21-14-8-2-1-3-9-14/h1-12,21H
InChIKeySULNBJOHVVTGIR-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethylidene)phenalene-1,3-dione?
The IUPAC name of 2-(anilinomethylidene)phenalene-1,3-dione (CID 2784814) is 2-(anilinomethylidene)phenalene-1,3-dione.
What is the SMILES notation for 2-(anilinomethylidene)phenalene-1,3-dione?
The canonical SMILES for 2-(anilinomethylidene)phenalene-1,3-dione is O=c1c(=CNc2ccccc2)c(=O)c2cccc3cccc1c32.
What is the InChIKey of 2-(anilinomethylidene)phenalene-1,3-dione?
The InChIKey is SULNBJOHVVTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-15-10-4-6-13-7-5-11-16(18(13)15)20(23)17(19)12-21-14-8-2-1-3-9-14/h1-12,21H.
What are the key properties of 2-(anilinomethylidene)phenalene-1,3-dione?
2-(anilinomethylidene)phenalene-1,3-dione has a molecular weight of 299.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethylidene)phenalene-1,3-dione is sourced from PubChem (CID 2784814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).