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

C39H27N3O3 — CID 134914180

IUPAC2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine
SMILESc1ccc(-c2ccc(Oc3nc(Oc4ccc(-c5ccccc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C39H27N3O3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)43-37-40-38(44-35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)45-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyNOAWJOPRHKJEFL-UHFFFAOYSA-N
MW585.66 g/mol
LogP10.25
Rot. Bonds9

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

2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine (PubChem CID 134914180) has the molecular formula C39H27N3O3 and a molecular weight of 585.66 g/mol. Its IUPAC name is 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine
PubChem CID134914180
Molecular FormulaC39H27N3O3
Molecular Weight585.66 g/mol
Exact Mass585.21
IUPAC Name2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine
SMILESc1ccc(-c2ccc(Oc3nc(Oc4ccc(-c5ccccc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C39H27N3O3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)43-37-40-38(44-35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)45-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyNOAWJOPRHKJEFL-UHFFFAOYSA-N
XLogP10.25
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 510.25
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-phenylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine (CID 134914180) is 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine is c1ccc(-c2ccc(Oc3nc(Oc4ccc(-c5ccccc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine?
The InChIKey is NOAWJOPRHKJEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)43-37-40-38(44-35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)45-36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H.
What are the key properties of 2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine?
2,4,6-tris(4-phenylphenoxy)-1,3,5-triazine has a molecular weight of 585.66 g/mol, XLogP of 10.25, 9 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-phenylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 134914180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).