4-(2-bromophenoxy)-5,6-diphenoxytriazine

C21H14BrN3O3 — CID 141160537

IUPAC4-(2-bromophenoxy)-5,6-diphenoxytriazine
SMILESBrc1ccccc1Oc1nnnc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H14BrN3O3/c22-17-13-7-8-14-18(17)28-21-19(26-15-9-3-1-4-10-15)20(23-25-24-21)27-16-11-5-2-6-12-16/h1-14H
InChIKeyZIWQUFAUOLNSEX-UHFFFAOYSA-N
MW436.27 g/mol
LogP6.01
Rot. Bonds6

About 4-(2-bromophenoxy)-5,6-diphenoxytriazine

4-(2-bromophenoxy)-5,6-diphenoxytriazine (PubChem CID 141160537) has the molecular formula C21H14BrN3O3 and a molecular weight of 436.27 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-5,6-diphenoxytriazine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-5,6-diphenoxytriazine
PubChem CID141160537
Molecular FormulaC21H14BrN3O3
Molecular Weight436.27 g/mol
Exact Mass435.02
IUPAC Name4-(2-bromophenoxy)-5,6-diphenoxytriazine
SMILESBrc1ccccc1Oc1nnnc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H14BrN3O3/c22-17-13-7-8-14-18(17)28-21-19(26-15-9-3-1-4-10-15)20(23-25-24-21)27-16-11-5-2-6-12-16/h1-14H
InChIKeyZIWQUFAUOLNSEX-UHFFFAOYSA-N
XLogP6.01
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.27
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
4,5,6-tris(2,3,4-tribromophenoxy)triazine
CID 22182121
5-phenoxytriazine-4,6-diamine
CID 154264389
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
2-(2-bromophenoxy)-6-methoxypyridine
CID 63589312
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586
6-(2-bromophenoxy)-5-methylpyridin-3-amine
CID 62476241
1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
2,3,4-tribromophenol;4,5,6-tris(2,3,4-tribromophenoxy)triazine
CID 87839841
[1-(2-bromophenoxy)isoquinolin-3-yl]methanamine
CID 62298264
2-(2-bromophenoxy)pyrazine
CID 14689440

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-5,6-diphenoxytriazine?
The IUPAC name of 4-(2-bromophenoxy)-5,6-diphenoxytriazine (CID 141160537) is 4-(2-bromophenoxy)-5,6-diphenoxytriazine.
What is the SMILES notation for 4-(2-bromophenoxy)-5,6-diphenoxytriazine?
The canonical SMILES for 4-(2-bromophenoxy)-5,6-diphenoxytriazine is Brc1ccccc1Oc1nnnc(Oc2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 4-(2-bromophenoxy)-5,6-diphenoxytriazine?
The InChIKey is ZIWQUFAUOLNSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O3/c22-17-13-7-8-14-18(17)28-21-19(26-15-9-3-1-4-10-15)20(23-25-24-21)27-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 4-(2-bromophenoxy)-5,6-diphenoxytriazine?
4-(2-bromophenoxy)-5,6-diphenoxytriazine has a molecular weight of 436.27 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-5,6-diphenoxytriazine is sourced from PubChem (CID 141160537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).