1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione

C24H21N3O3 — CID 584033

IUPAC1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccc(-n2c(=O)n(-c3ccc(C)cc3)c(=O)n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyGEPCRFVQDHGHNE-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.06
Rot. Bonds3

About 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 584033) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID584033
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccc(-n2c(=O)n(-c3ccc(C)cc3)c(=O)n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyGEPCRFVQDHGHNE-UHFFFAOYSA-N
XLogP3.06
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione (CID 584033) is 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione is Cc1ccc(-n2c(=O)n(-c3ccc(C)cc3)c(=O)n(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GEPCRFVQDHGHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 399.45 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 584033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).