1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione

C33H23NO3 — CID 2871140

IUPAC1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
SMILESO=C1NC(=O)C2C1C1(c3ccccc3)C(=O)C2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C33H23NO3/c35-29-27-28(30(36)34-29)33(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)32(27,31(33)37)23-17-9-3-10-18-23/h1-20,27-28H,(H,34,35,36)
InChIKeyWOOKSFHTBCXVFT-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.96
Rot. Bonds4

About 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione

1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione (PubChem CID 2871140) has the molecular formula C33H23NO3 and a molecular weight of 481.55 g/mol. Its IUPAC name is 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione.

Molecular Properties

Compound Name1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
PubChem CID2871140
Molecular FormulaC33H23NO3
Molecular Weight481.55 g/mol
Exact Mass481.17
IUPAC Name1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
SMILESO=C1NC(=O)C2C1C1(c3ccccc3)C(=O)C2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C33H23NO3/c35-29-27-28(30(36)34-29)33(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)32(27,31(33)37)23-17-9-3-10-18-23/h1-20,27-28H,(H,34,35,36)
InChIKeyWOOKSFHTBCXVFT-UHFFFAOYSA-N
XLogP4.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione 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 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione?
The IUPAC name of 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione (CID 2871140) is 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione.
What is the SMILES notation for 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione?
The canonical SMILES for 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione is O=C1NC(=O)C2C1C1(c3ccccc3)C(=O)C2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione?
The InChIKey is WOOKSFHTBCXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO3/c35-29-27-28(30(36)34-29)33(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)32(27,31(33)37)23-17-9-3-10-18-23/h1-20,27-28H,(H,34,35,36).
What are the key properties of 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione?
1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione has a molecular weight of 481.55 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione is sourced from PubChem (CID 2871140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).