4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione

C24H16N2O2 — CID 140906853

IUPAC4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(N(c3ccccc3)c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C24H16N2O2/c27-23-19-13-7-8-16-14-15-20(22(21(16)19)24(28)25-23)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,(H,25,27,28)
InChIKeyYPLOLNPGRJIXHB-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.19
Rot. Bonds3

About 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione

4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione (PubChem CID 140906853) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
PubChem CID140906853
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c(N(c3ccccc3)c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C24H16N2O2/c27-23-19-13-7-8-16-14-15-20(22(21(16)19)24(28)25-23)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,(H,25,27,28)
InChIKeyYPLOLNPGRJIXHB-UHFFFAOYSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis[4-(N-phenylanilino)phenyl]benzo[de]isoquinoline-1,3-dione
CID 174974437
4-(2-aminophenyl)benzo[de]isoquinoline-1,3-dione
CID 68917144
benzo[de]isoquinoline-1,3-dione;nickel
CID 175169723
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
4-acetylbenzo[de]isoquinoline-1,3-dione
CID 66889339
2-(1,3-dioxobenzo[de]isoquinolin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 54485073
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
[2-[(1,3-dioxobenzo[de]isoquinolin-4-yl)-prop-2-enoyloxyamino]-2-oxoethyl] prop-2-enoate
CID 175304576
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212

Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione (CID 140906853) is 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione is O=C1NC(=O)c2c(N(c3ccccc3)c3ccccc3)ccc3cccc1c23.
What is the InChIKey of 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is YPLOLNPGRJIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c27-23-19-13-7-8-16-14-15-20(22(21(16)19)24(28)25-23)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,(H,25,27,28).
What are the key properties of 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 364.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 140906853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).