1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione

C23H16F3N3O3 — CID 129192336

IUPAC1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccccc1-n1c(=O)n(-c2ccccc2)c(=O)n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N3O3/c1-15-9-5-7-13-18(15)28-20(30)27(16-10-3-2-4-11-16)21(31)29(22(28)32)19-14-8-6-12-17(19)23(24,25)26/h2-14H,1H3
InChIKeyCPFOHAOWEAZLEC-UHFFFAOYSA-N
MW439.39 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione

1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 129192336) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID129192336
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Name1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccccc1-n1c(=O)n(-c2ccccc2)c(=O)n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N3O3/c1-15-9-5-7-13-18(15)28-20(30)27(16-10-3-2-4-11-16)21(31)29(22(28)32)19-14-8-6-12-17(19)23(24,25)26/h2-14H,1H3
InChIKeyCPFOHAOWEAZLEC-UHFFFAOYSA-N
XLogP3.47
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione (CID 129192336) is 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione is Cc1ccccc1-n1c(=O)n(-c2ccccc2)c(=O)n(-c2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is CPFOHAOWEAZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-15-9-5-7-13-18(15)28-20(30)27(16-10-3-2-4-11-16)21(31)29(22(28)32)19-14-8-6-12-17(19)23(24,25)26/h2-14H,1H3.
What are the key properties of 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 439.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 129192336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).