6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione

C31H19N3O3 — CID 3118803

IUPAC6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O
InChIInChI=1S/C31H19N3O3/c35-29(20-8-3-1-4-9-20)25-18-19-27-28-24(25)12-7-13-26(28)30(36)34(31(27)37)23-16-14-22(15-17-23)33-32-21-10-5-2-6-11-21/h1-19H/b33-32+
InChIKeyYRESENKXMTVXGM-ULIFNZDWSA-N
MW481.51 g/mol
LogP7.29
Rot. Bonds5

About 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione

6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 3118803) has the molecular formula C31H19N3O3 and a molecular weight of 481.51 g/mol. Its IUPAC name is 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID3118803
Molecular FormulaC31H19N3O3
Molecular Weight481.51 g/mol
Exact Mass481.14
IUPAC Name6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O
InChIInChI=1S/C31H19N3O3/c35-29(20-8-3-1-4-9-20)25-18-19-27-28-24(25)12-7-13-26(28)30(36)34(31(27)37)23-16-14-22(15-17-23)33-32-21-10-5-2-6-11-21/h1-19H/b33-32+
InChIKeyYRESENKXMTVXGM-ULIFNZDWSA-N
XLogP7.29
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-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 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione (CID 3118803) is 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione is O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O.
What is the InChIKey of 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is YRESENKXMTVXGM-ULIFNZDWSA-N. The full InChI is InChI=1S/C31H19N3O3/c35-29(20-8-3-1-4-9-20)25-18-19-27-28-24(25)12-7-13-26(28)30(36)34(31(27)37)23-16-14-22(15-17-23)33-32-21-10-5-2-6-11-21/h1-19H/b33-32+.
What are the key properties of 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione?
6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 481.51 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-(4-phenyldiazenylphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3118803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).