[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene

C14H8Cl4N2 — CID 134921361

IUPAC[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene
SMILESClC(=C/c1c(Cl)cc(Cl)cc1Cl)/N=N/c1ccccc1
InChIInChI=1S/C14H8Cl4N2/c15-9-6-12(16)11(13(17)7-9)8-14(18)20-19-10-4-2-1-3-5-10/h1-8H/b14-8-,20-19+
InChIKeyCOVZZYFGXCABHY-JSQZLVBHSA-N
MW346.04 g/mol
LogP6.97
Rot. Bonds3

About [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene

[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene (PubChem CID 134921361) has the molecular formula C14H8Cl4N2 and a molecular weight of 346.04 g/mol. Its IUPAC name is [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene.

Molecular Properties

Compound Name[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene
PubChem CID134921361
Molecular FormulaC14H8Cl4N2
Molecular Weight346.04 g/mol
Exact Mass343.94
IUPAC Name[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene
SMILESClC(=C/c1c(Cl)cc(Cl)cc1Cl)/N=N/c1ccccc1
InChIInChI=1S/C14H8Cl4N2/c15-9-6-12(16)11(13(17)7-9)8-14(18)20-19-10-4-2-1-3-5-10/h1-8H/b14-8-,20-19+
InChIKeyCOVZZYFGXCABHY-JSQZLVBHSA-N
XLogP6.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene?
The IUPAC name of [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene (CID 134921361) is [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene.
What is the SMILES notation for [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene?
The canonical SMILES for [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene is ClC(=C/c1c(Cl)cc(Cl)cc1Cl)/N=N/c1ccccc1.
What is the InChIKey of [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene?
The InChIKey is COVZZYFGXCABHY-JSQZLVBHSA-N. The full InChI is InChI=1S/C14H8Cl4N2/c15-9-6-12(16)11(13(17)7-9)8-14(18)20-19-10-4-2-1-3-5-10/h1-8H/b14-8-,20-19+.
What are the key properties of [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene?
[(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene has a molecular weight of 346.04 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-2-(2,4,6-trichlorophenyl)ethenyl]-phenyldiazene is sourced from PubChem (CID 134921361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).