2,4,6-triphenoxy-1,3,5-triazine

C21H15N3O3 — CID 15973

IUPAC2,4,6-triphenoxy-1,3,5-triazine
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H
InChIKeyIYDYVVVAQKFGBS-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.25
Rot. Bonds6

About 2,4,6-triphenoxy-1,3,5-triazine

2,4,6-triphenoxy-1,3,5-triazine (PubChem CID 15973) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2,4,6-triphenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-triphenoxy-1,3,5-triazine
PubChem CID15973
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2,4,6-triphenoxy-1,3,5-triazine
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H
InChIKeyIYDYVVVAQKFGBS-UHFFFAOYSA-N
XLogP5.25
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Phenoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 25271557
2,4,6-Tris(4-methoxyphenoxy)-1,3,5-triazine
CID 260088
2,4,6-Tris(4-fluorophenoxy)-1,3,5-triazine
CID 10573660
6-Phenoxy-1,3,5-triazine-2,4-diamine
CID 15111
4-Chloro-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 14724248
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-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
CID 2782796
2,4,6-Tris(2-methoxyphenoxy)-1,3,5-triazine
CID 4094680
2-(3-Iodophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 62859977
2,4-Dichloro-6-phenoxy-1,3,5-triazine
CID 20807

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenoxy-1,3,5-triazine?
The IUPAC name of 2,4,6-triphenoxy-1,3,5-triazine (CID 15973) is 2,4,6-triphenoxy-1,3,5-triazine.
What is the SMILES notation for 2,4,6-triphenoxy-1,3,5-triazine?
The canonical SMILES for 2,4,6-triphenoxy-1,3,5-triazine is c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-triphenoxy-1,3,5-triazine?
The InChIKey is IYDYVVVAQKFGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,4,6-triphenoxy-1,3,5-triazine?
2,4,6-triphenoxy-1,3,5-triazine has a molecular weight of 357.37 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenoxy-1,3,5-triazine is sourced from PubChem (CID 15973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).