2,4,6-tris(4-methylphenoxy)-1,3,5-triazine

C24H21N3O3 — CID 12757373

IUPAC2,4,6-tris(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)28-22-25-23(29-20-12-6-17(2)7-13-20)27-24(26-22)30-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyFSEKVXCYYHXUPX-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.17
Rot. Bonds6

About 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine

2,4,6-tris(4-methylphenoxy)-1,3,5-triazine (PubChem CID 12757373) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-methylphenoxy)-1,3,5-triazine
PubChem CID12757373
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2,4,6-tris(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)28-22-25-23(29-20-12-6-17(2)7-13-20)27-24(26-22)30-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyFSEKVXCYYHXUPX-UHFFFAOYSA-N
XLogP6.17
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine (CID 12757373) is 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine is Cc1ccc(Oc2nc(Oc3ccc(C)cc3)nc(Oc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine?
The InChIKey is FSEKVXCYYHXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)28-22-25-23(29-20-12-6-17(2)7-13-20)27-24(26-22)30-21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine?
2,4,6-tris(4-methylphenoxy)-1,3,5-triazine has a molecular weight of 399.45 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 12757373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).