2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine

C28H24Cl6N6O2 — CID 159143581

IUPAC2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCOc1ccc(/C=C/c2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1.COc1ccccc1/C=C/c1nc(C)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/2C14H12Cl3N3O/c1-9-18-12(20-13(19-9)14(15,16)17)8-5-10-3-6-11(21-2)7-4-10;1-9-18-12(20-13(19-9)14(15,16)17)8-7-10-5-3-4-6-11(10)21-2/h2*3-8H,1-2H3/b8-5+;8-7+
InChIKeyKIKAXXITUVJJLW-IWEWWXACSA-N
MW689.26 g/mol
LogP8.37
Rot. Bonds6

About 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine

2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 159143581) has the molecular formula C28H24Cl6N6O2 and a molecular weight of 689.26 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine
PubChem CID159143581
Molecular FormulaC28H24Cl6N6O2
Molecular Weight689.26 g/mol
Exact Mass686.01
IUPAC Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCOc1ccc(/C=C/c2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1.COc1ccccc1/C=C/c1nc(C)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/2C14H12Cl3N3O/c1-9-18-12(20-13(19-9)14(15,16)17)8-5-10-3-6-11(21-2)7-4-10;1-9-18-12(20-13(19-9)14(15,16)17)8-7-10-5-3-4-6-11(10)21-2/h2*3-8H,1-2H3/b8-5+;8-7+
InChIKeyKIKAXXITUVJJLW-IWEWWXACSA-N
XLogP8.37
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.26
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 92855713
CID 87977007
CID 87977007
2-[2-(4-ethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 162222354
2-[2-(4-pentoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 54162086
(4-methoxyphenyl)-diphenylsulfanium;2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;trifluoromethanesulfonate
CID 157179763
3-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethenyl]phenoxy]propan-1-ol
CID 154131642
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
2,4-bis(chloromethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,5-triazine
CID 68718360

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine (CID 159143581) is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine is COc1ccc(/C=C/c2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1.COc1ccccc1/C=C/c1nc(C)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is KIKAXXITUVJJLW-IWEWWXACSA-N. The full InChI is InChI=1S/2C14H12Cl3N3O/c1-9-18-12(20-13(19-9)14(15,16)17)8-5-10-3-6-11(21-2)7-4-10;1-9-18-12(20-13(19-9)14(15,16)17)8-7-10-5-3-4-6-11(10)21-2/h2*3-8H,1-2H3/b8-5+;8-7+.
What are the key properties of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 689.26 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 159143581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).