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

C23H17N3 — CID 146639140

IUPAC2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESC=Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H17N3/c1-2-17-11-9-10-16-20(17)23-25-21(18-12-5-3-6-13-18)24-22(26-23)19-14-7-4-8-15-19/h2-16H,1H2
InChIKeyXTDRQEYUKWLNDF-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.52
Rot. Bonds4

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

2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 146639140) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID146639140
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESC=Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H17N3/c1-2-17-11-9-10-16-20(17)23-25-21(18-12-5-3-6-13-18)24-22(26-23)19-14-7-4-8-15-19/h2-16H,1H2
InChIKeyXTDRQEYUKWLNDF-UHFFFAOYSA-N
XLogP5.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 146639140) is 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine is C=Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XTDRQEYUKWLNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-2-17-11-9-10-16-20(17)23-25-21(18-12-5-3-6-13-18)24-22(26-23)19-14-7-4-8-15-19/h2-16H,1H2.
What are the key properties of 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 335.41 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146639140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).