4,5,6-tris[(4-ethenylphenyl)methoxy]triazine

C30H27N3O3 — CID 171473025

IUPAC4,5,6-tris[(4-ethenylphenyl)methoxy]triazine
SMILESC=Cc1ccc(COc2nnnc(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C30H27N3O3/c1-4-22-7-13-25(14-8-22)19-34-28-29(35-20-26-15-9-23(5-2)10-16-26)31-33-32-30(28)36-21-27-17-11-24(6-3)12-18-27/h4-18H,1-3,19-21H2
InChIKeyPEAOWUSHXCMRIR-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.54
Rot. Bonds12

About 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine

4,5,6-tris[(4-ethenylphenyl)methoxy]triazine (PubChem CID 171473025) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine.

Molecular Properties

Compound Name4,5,6-tris[(4-ethenylphenyl)methoxy]triazine
PubChem CID171473025
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name4,5,6-tris[(4-ethenylphenyl)methoxy]triazine
SMILESC=Cc1ccc(COc2nnnc(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C30H27N3O3/c1-4-22-7-13-25(14-8-22)19-34-28-29(35-20-26-15-9-23(5-2)10-16-26)31-33-32-30(28)36-21-27-17-11-24(6-3)12-18-27/h4-18H,1-3,19-21H2
InChIKeyPEAOWUSHXCMRIR-UHFFFAOYSA-N
XLogP6.54
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine?
The IUPAC name of 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine (CID 171473025) is 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine.
What is the SMILES notation for 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine?
The canonical SMILES for 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine is C=Cc1ccc(COc2nnnc(OCc3ccc(C=C)cc3)c2OCc2ccc(C=C)cc2)cc1.
What is the InChIKey of 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine?
The InChIKey is PEAOWUSHXCMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-4-22-7-13-25(14-8-22)19-34-28-29(35-20-26-15-9-23(5-2)10-16-26)31-33-32-30(28)36-21-27-17-11-24(6-3)12-18-27/h4-18H,1-3,19-21H2.
What are the key properties of 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine?
4,5,6-tris[(4-ethenylphenyl)methoxy]triazine has a molecular weight of 477.56 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tris[(4-ethenylphenyl)methoxy]triazine is sourced from PubChem (CID 171473025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).