15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione

C20H15N3O3 — CID 90482274

IUPAC15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione
SMILESO=C1C=CC23C4C5C6C5C2C3(C1)C6n1c(=O)n(-c2ccccc2)c(=O)n14
InChIInChI=1S/C20H15N3O3/c24-10-6-7-19-14-11-12-13(11)16(20(14,19)8-10)23-18(26)21(9-4-2-1-3-5-9)17(25)22(23)15(12)19/h1-7,11-16H,8H2
InChIKeyVTZFPEJCFLLINX-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.92
Rot. Bonds1

About 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione

15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione (PubChem CID 90482274) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione.

Molecular Properties

Compound Name15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione
PubChem CID90482274
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione
SMILESO=C1C=CC23C4C5C6C5C2C3(C1)C6n1c(=O)n(-c2ccccc2)c(=O)n14
InChIInChI=1S/C20H15N3O3/c24-10-6-7-19-14-11-12-13(11)16(20(14,19)8-10)23-18(26)21(9-4-2-1-3-5-9)17(25)22(23)15(12)19/h1-7,11-16H,8H2
InChIKeyVTZFPEJCFLLINX-UHFFFAOYSA-N
XLogP0.92
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-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 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione?
The IUPAC name of 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione (CID 90482274) is 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione.
What is the SMILES notation for 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione?
The canonical SMILES for 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione is O=C1C=CC23C4C5C6C5C2C3(C1)C6n1c(=O)n(-c2ccccc2)c(=O)n14.
What is the InChIKey of 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione?
The InChIKey is VTZFPEJCFLLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-10-6-7-19-14-11-12-13(11)16(20(14,19)8-10)23-18(26)21(9-4-2-1-3-5-9)17(25)22(23)15(12)19/h1-7,11-16H,8H2.
What are the key properties of 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione?
15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione has a molecular weight of 345.36 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-5-ene-4,14,16-trione is sourced from PubChem (CID 90482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).