2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione

C37H20N2O5 — CID 2831544

IUPAC2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C37H20N2O5/c40-33(23-15-17-27-29(19-23)36(43)38(34(27)41)31-13-5-9-21-7-1-3-11-25(21)31)24-16-18-28-30(20-24)37(44)39(35(28)42)32-14-6-10-22-8-2-4-12-26(22)32/h1-20H
InChIKeyHGWOHJGVAVRJJF-UHFFFAOYSA-N
MW572.58 g/mol
LogP6.83
Rot. Bonds4

About 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione

2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione (PubChem CID 2831544) has the molecular formula C37H20N2O5 and a molecular weight of 572.58 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
PubChem CID2831544
Molecular FormulaC37H20N2O5
Molecular Weight572.58 g/mol
Exact Mass572.14
IUPAC Name2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O
InChIInChI=1S/C37H20N2O5/c40-33(23-15-17-27-29(19-23)36(43)38(34(27)41)31-13-5-9-21-7-1-3-11-25(21)31)24-16-18-28-30(20-24)37(44)39(35(28)42)32-14-6-10-22-8-2-4-12-26(22)32/h1-20H
InChIKeyHGWOHJGVAVRJJF-UHFFFAOYSA-N
XLogP6.83
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.58
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione (CID 2831544) is 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O.
What is the InChIKey of 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione?
The InChIKey is HGWOHJGVAVRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2O5/c40-33(23-15-17-27-29(19-23)36(43)38(34(27)41)31-13-5-9-21-7-1-3-11-25(21)31)24-16-18-28-30(20-24)37(44)39(35(28)42)32-14-6-10-22-8-2-4-12-26(22)32/h1-20H.
What are the key properties of 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione?
2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione has a molecular weight of 572.58 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 2831544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).