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

C24H21N3O6 — CID 4094680

IUPAC2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine
SMILESCOc1ccccc1Oc1nc(Oc2ccccc2OC)nc(Oc2ccccc2OC)n1
InChIInChI=1S/C24H21N3O6/c1-28-16-10-4-7-13-19(16)31-22-25-23(32-20-14-8-5-11-17(20)29-2)27-24(26-22)33-21-15-9-6-12-18(21)30-3/h4-15H,1-3H3
InChIKeyVWYNRKLJUNWLRL-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.27
Rot. Bonds9

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

2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine (PubChem CID 4094680) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine
PubChem CID4094680
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine
SMILESCOc1ccccc1Oc1nc(Oc2ccccc2OC)nc(Oc2ccccc2OC)n1
InChIInChI=1S/C24H21N3O6/c1-28-16-10-4-7-13-19(16)31-22-25-23(32-20-14-8-5-11-17(20)29-2)27-24(26-22)33-21-15-9-6-12-18(21)30-3/h4-15H,1-3H3
InChIKeyVWYNRKLJUNWLRL-UHFFFAOYSA-N
XLogP5.27
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine (CID 4094680) is 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine is COc1ccccc1Oc1nc(Oc2ccccc2OC)nc(Oc2ccccc2OC)n1.
What is the InChIKey of 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine?
The InChIKey is VWYNRKLJUNWLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-28-16-10-4-7-13-19(16)31-22-25-23(32-20-14-8-5-11-17(20)29-2)27-24(26-22)33-21-15-9-6-12-18(21)30-3/h4-15H,1-3H3.
What are the key properties of 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine?
2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine has a molecular weight of 447.45 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methoxyphenoxy)-1,3,5-triazine is sourced from PubChem (CID 4094680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).