11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

C27H18Cl2N2O3 — CID 3325201

IUPAC11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESO=C(c1ccc(Cl)cc1Cl)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C27H18Cl2N2O3/c28-16-10-11-19(20(29)14-16)25(32)24-22-21(23-18-9-5-4-6-15(18)12-13-30(23)24)26(33)31(27(22)34)17-7-2-1-3-8-17/h1-14,21-24H
InChIKeyVNJHCJMWQXBDRG-UHFFFAOYSA-N
MW489.36 g/mol
LogP5.39
Rot. Bonds3

About 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (PubChem CID 3325201) has the molecular formula C27H18Cl2N2O3 and a molecular weight of 489.36 g/mol. Its IUPAC name is 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.

Molecular Properties

Compound Name11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
PubChem CID3325201
Molecular FormulaC27H18Cl2N2O3
Molecular Weight489.36 g/mol
Exact Mass488.07
IUPAC Name11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
SMILESO=C(c1ccc(Cl)cc1Cl)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=CN12
InChIInChI=1S/C27H18Cl2N2O3/c28-16-10-11-19(20(29)14-16)25(32)24-22-21(23-18-9-5-4-6-15(18)12-13-30(23)24)26(33)31(27(22)34)17-7-2-1-3-8-17/h1-14,21-24H
InChIKeyVNJHCJMWQXBDRG-UHFFFAOYSA-N
XLogP5.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.36
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-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 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The IUPAC name of 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione (CID 3325201) is 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
What is the SMILES notation for 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The canonical SMILES for 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is O=C(c1ccc(Cl)cc1Cl)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=CN12.
What is the InChIKey of 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
The InChIKey is VNJHCJMWQXBDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N2O3/c28-16-10-11-19(20(29)14-16)25(32)24-22-21(23-18-9-5-4-6-15(18)12-13-30(23)24)26(33)31(27(22)34)17-7-2-1-3-8-17/h1-14,21-24H.
What are the key properties of 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione?
11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione has a molecular weight of 489.36 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dichlorobenzoyl)-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione is sourced from PubChem (CID 3325201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).