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

C21H12Cl3N3O3 — CID 11733242

IUPAC2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine
SMILESClc1ccccc1Oc1nc(Oc2ccccc2Cl)nc(Oc2ccccc2Cl)n1
InChIInChI=1S/C21H12Cl3N3O3/c22-13-7-1-4-10-16(13)28-19-25-20(29-17-11-5-2-8-14(17)23)27-21(26-19)30-18-12-6-3-9-15(18)24/h1-12H
InChIKeyZNQVJVJNQDKTIQ-UHFFFAOYSA-N
MW460.70 g/mol
LogP7.21
Rot. Bonds6

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

2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine (PubChem CID 11733242) has the molecular formula C21H12Cl3N3O3 and a molecular weight of 460.70 g/mol. Its IUPAC name is 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine
PubChem CID11733242
Molecular FormulaC21H12Cl3N3O3
Molecular Weight460.70 g/mol
Exact Mass458.99
IUPAC Name2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine
SMILESClc1ccccc1Oc1nc(Oc2ccccc2Cl)nc(Oc2ccccc2Cl)n1
InChIInChI=1S/C21H12Cl3N3O3/c22-13-7-1-4-10-16(13)28-19-25-20(29-17-11-5-2-8-14(17)23)27-21(26-19)30-18-12-6-3-9-15(18)24/h1-12H
InChIKeyZNQVJVJNQDKTIQ-UHFFFAOYSA-N
XLogP7.21
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 57.21
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(2-chlorophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine (CID 11733242) is 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine is Clc1ccccc1Oc1nc(Oc2ccccc2Cl)nc(Oc2ccccc2Cl)n1.
What is the InChIKey of 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine?
The InChIKey is ZNQVJVJNQDKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl3N3O3/c22-13-7-1-4-10-16(13)28-19-25-20(29-17-11-5-2-8-14(17)23)27-21(26-19)30-18-12-6-3-9-15(18)24/h1-12H.
What are the key properties of 2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine?
2,4,6-tris(2-chlorophenoxy)-1,3,5-triazine has a molecular weight of 460.70 g/mol, XLogP of 7.21, 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(2-chlorophenoxy)-1,3,5-triazine is sourced from PubChem (CID 11733242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).