2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine

C29H22ClN3O2 — CID 21413010

IUPAC2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
SMILESClc1nc(Oc2ccc(Cc3ccccc3)cc2)nc(Oc2ccc(Cc3ccccc3)cc2)n1
InChIInChI=1S/C29H22ClN3O2/c30-27-31-28(34-25-15-11-23(12-16-25)19-21-7-3-1-4-8-21)33-29(32-27)35-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKeyAHLDSYDONNLSLK-UHFFFAOYSA-N
MW479.97 g/mol
LogP7.29
Rot. Bonds8

About 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine

2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine (PubChem CID 21413010) has the molecular formula C29H22ClN3O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
PubChem CID21413010
Molecular FormulaC29H22ClN3O2
Molecular Weight479.97 g/mol
Exact Mass479.14
IUPAC Name2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
SMILESClc1nc(Oc2ccc(Cc3ccccc3)cc2)nc(Oc2ccc(Cc3ccccc3)cc2)n1
InChIInChI=1S/C29H22ClN3O2/c30-27-31-28(34-25-15-11-23(12-16-25)19-21-7-3-1-4-8-21)33-29(32-27)35-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKeyAHLDSYDONNLSLK-UHFFFAOYSA-N
XLogP7.29
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine (CID 21413010) is 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine is Clc1nc(Oc2ccc(Cc3ccccc3)cc2)nc(Oc2ccc(Cc3ccccc3)cc2)n1.
What is the InChIKey of 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine?
The InChIKey is AHLDSYDONNLSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O2/c30-27-31-28(34-25-15-11-23(12-16-25)19-21-7-3-1-4-8-21)33-29(32-27)35-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2.
What are the key properties of 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine?
2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine has a molecular weight of 479.97 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine is sourced from PubChem (CID 21413010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).