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

C24H21N3O3 — CID 15972

IUPAC2,4,6-tris(3-methylphenoxy)-1,3,5-triazine
SMILESCc1cccc(Oc2nc(Oc3cccc(C)c3)nc(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C24H21N3O3/c1-16-7-4-10-19(13-16)28-22-25-23(29-20-11-5-8-17(2)14-20)27-24(26-22)30-21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChIKeyOFEFSTCNEKWIQZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.17
Rot. Bonds6

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

2,4,6-tris(3-methylphenoxy)-1,3,5-triazine (PubChem CID 15972) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-methylphenoxy)-1,3,5-triazine
PubChem CID15972
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2,4,6-tris(3-methylphenoxy)-1,3,5-triazine
SMILESCc1cccc(Oc2nc(Oc3cccc(C)c3)nc(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C24H21N3O3/c1-16-7-4-10-19(13-16)28-22-25-23(29-20-11-5-8-17(2)14-20)27-24(26-22)30-21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChIKeyOFEFSTCNEKWIQZ-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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Related Compounds

2,4,6-Triphenoxy-s-triazine
CID 15973
2,4,6-Tris(4-methoxyphenoxy)-1,3,5-triazine
CID 260088
2,4,6-Tris(4-fluorophenoxy)-1,3,5-triazine
CID 10573660
2-Chloro-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 35653
2,4,6-Tris[(4-methoxyphenyl)methoxy]-1,3,5-triazine
CID 44392373
2,4,6-Tris(2-propan-2-ylphenoxy)-1,3,5-triazine
CID 1822393
2,4,6-Tris(2-methoxyphenoxy)-1,3,5-triazine
CID 4094680
2,4,6-Tris-(4-methylphenoxy)-1,3,5-triazine
CID 12757373
2,4,6-Tris(4-phenylphenoxy)-1,3,5-triazine
CID 134914180
2,4,6-Tris(4-tert-butylphenoxy)-1,3,5-triazine
CID 260085
2,4,6-Tris(3,5-dimethylphenoxy)-1,3,5-triazine
CID 1822392
2-Chloro-4,6-diphenoxy-1,3,5-triazine
CID 18088

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine (CID 15972) is 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine is Cc1cccc(Oc2nc(Oc3cccc(C)c3)nc(Oc3cccc(C)c3)n2)c1.
What is the InChIKey of 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine?
The InChIKey is OFEFSTCNEKWIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-7-4-10-19(13-16)28-22-25-23(29-20-11-5-8-17(2)14-20)27-24(26-22)30-21-12-6-9-18(3)15-21/h4-15H,1-3H3.
What are the key properties of 2,4,6-tris(3-methylphenoxy)-1,3,5-triazine?
2,4,6-tris(3-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(3-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 15972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).