2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine

C23H19N3O2 — CID 101027506

IUPAC2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H19N3O2/c1-27-18-13-14-19(20(15-18)28-2)23-25-21(16-9-5-3-6-10-16)24-22(26-23)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyVAZWCMJXSRHYOJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.89
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine

2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 101027506) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID101027506
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H19N3O2/c1-27-18-13-14-19(20(15-18)28-2)23-25-21(16-9-5-3-6-10-16)24-22(26-23)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyVAZWCMJXSRHYOJ-UHFFFAOYSA-N
XLogP4.89
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine (CID 101027506) is 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VAZWCMJXSRHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-27-18-13-14-19(20(15-18)28-2)23-25-21(16-9-5-3-6-10-16)24-22(26-23)17-11-7-4-8-12-17/h3-15H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 369.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 101027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).