1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione

C21H15N3O3 — CID 15695

IUPAC1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H
InChIKeyYEACGXMAEGBJSM-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.14
Rot. Bonds3

About 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione

1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 15695) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione
PubChem CID15695
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H
InChIKeyYEACGXMAEGBJSM-UHFFFAOYSA-N
XLogP2.14
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione (CID 15695) is 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione is O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YEACGXMAEGBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H.
What are the key properties of 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione?
1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 357.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).