11-phenylnaphtho[1,2-f]isoindole-8,10-dione

C22H13NO2 — CID 888150

IUPAC11-phenylnaphtho[1,2-f]isoindole-8,10-dione
SMILESO=C1NC(=O)c2c1cc1ccc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C22H13NO2/c24-21-17-12-15-11-10-13-6-4-5-9-16(13)18(15)19(20(17)22(25)23-21)14-7-2-1-3-8-14/h1-12H,(H,23,24,25)
InChIKeyNGAUCLFEJZBEEK-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.54
Rot. Bonds1

About 11-phenylnaphtho[1,2-f]isoindole-8,10-dione

11-phenylnaphtho[1,2-f]isoindole-8,10-dione (PubChem CID 888150) has the molecular formula C22H13NO2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 11-phenylnaphtho[1,2-f]isoindole-8,10-dione.

Molecular Properties

Compound Name11-phenylnaphtho[1,2-f]isoindole-8,10-dione
PubChem CID888150
Molecular FormulaC22H13NO2
Molecular Weight323.35 g/mol
Exact Mass323.09
IUPAC Name11-phenylnaphtho[1,2-f]isoindole-8,10-dione
SMILESO=C1NC(=O)c2c1cc1ccc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C22H13NO2/c24-21-17-12-15-11-10-13-6-4-5-9-16(13)18(15)19(20(17)22(25)23-21)14-7-2-1-3-8-14/h1-12H,(H,23,24,25)
InChIKeyNGAUCLFEJZBEEK-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-phenylnaphtho[1,2-f]isoindole-8,10-dione?
The IUPAC name of 11-phenylnaphtho[1,2-f]isoindole-8,10-dione (CID 888150) is 11-phenylnaphtho[1,2-f]isoindole-8,10-dione.
What is the SMILES notation for 11-phenylnaphtho[1,2-f]isoindole-8,10-dione?
The canonical SMILES for 11-phenylnaphtho[1,2-f]isoindole-8,10-dione is O=C1NC(=O)c2c1cc1ccc3ccccc3c1c2-c1ccccc1.
What is the InChIKey of 11-phenylnaphtho[1,2-f]isoindole-8,10-dione?
The InChIKey is NGAUCLFEJZBEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO2/c24-21-17-12-15-11-10-13-6-4-5-9-16(13)18(15)19(20(17)22(25)23-21)14-7-2-1-3-8-14/h1-12H,(H,23,24,25).
What are the key properties of 11-phenylnaphtho[1,2-f]isoindole-8,10-dione?
11-phenylnaphtho[1,2-f]isoindole-8,10-dione has a molecular weight of 323.35 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylnaphtho[1,2-f]isoindole-8,10-dione is sourced from PubChem (CID 888150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).