bis(2,6-dichloro-4-ethylphenyl)diazene

C16H14Cl4N2 — CID 155933221

IUPACbis(2,6-dichloro-4-ethylphenyl)diazene
SMILESCCc1cc(Cl)c(/N=N/c2c(Cl)cc(CC)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl4N2/c1-3-9-5-11(17)15(12(18)6-9)21-22-16-13(19)7-10(4-2)8-14(16)20/h5-8H,3-4H2,1-2H3/b22-21+
InChIKeyOSRQMLSKZHUHNN-QURGRASLSA-N
MW376.11 g/mol
LogP7.84
Rot. Bonds4

About bis(2,6-dichloro-4-ethylphenyl)diazene

bis(2,6-dichloro-4-ethylphenyl)diazene (PubChem CID 155933221) has the molecular formula C16H14Cl4N2 and a molecular weight of 376.11 g/mol. Its IUPAC name is bis(2,6-dichloro-4-ethylphenyl)diazene.

Molecular Properties

Compound Namebis(2,6-dichloro-4-ethylphenyl)diazene
PubChem CID155933221
Molecular FormulaC16H14Cl4N2
Molecular Weight376.11 g/mol
Exact Mass373.99
IUPAC Namebis(2,6-dichloro-4-ethylphenyl)diazene
SMILESCCc1cc(Cl)c(/N=N/c2c(Cl)cc(CC)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl4N2/c1-3-9-5-11(17)15(12(18)6-9)21-22-16-13(19)7-10(4-2)8-14(16)20/h5-8H,3-4H2,1-2H3/b22-21+
InChIKeyOSRQMLSKZHUHNN-QURGRASLSA-N
XLogP7.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 57.84
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'}

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
3,3'-Dichlorobenzidine
CID 7070
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
3,5-Dichlorobenzidine
CID 124990
Benzenamine, 4,4'-methylenebis(2,6-dichloro-
CID 117516
3,3',5-Trichlorobenzidine
CID 124991
Benzidine, 3,3',5,5'-tetrachloro-
CID 148423
[1,1'-Biphenyl]-4,4'-bis(diazonium), 3,3'-dichloro-, chloride (1:2)
CID 170807
4,4'-Methylene-bis(2-chloroaniline).2HCl
CID 5284426
p-Toluidine, 2,6-dichloro-alpha-inden-1-ylidene-
CID 5932852
3,3'-Dichloro-4,4'-stilbenediamine
CID 6444382
3,3'-Dichlorobiphenyl-4,4'-didiazonium
CID 170808

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dichloro-4-ethylphenyl)diazene?
The IUPAC name of bis(2,6-dichloro-4-ethylphenyl)diazene (CID 155933221) is bis(2,6-dichloro-4-ethylphenyl)diazene.
What is the SMILES notation for bis(2,6-dichloro-4-ethylphenyl)diazene?
The canonical SMILES for bis(2,6-dichloro-4-ethylphenyl)diazene is CCc1cc(Cl)c(/N=N/c2c(Cl)cc(CC)cc2Cl)c(Cl)c1.
What is the InChIKey of bis(2,6-dichloro-4-ethylphenyl)diazene?
The InChIKey is OSRQMLSKZHUHNN-QURGRASLSA-N. The full InChI is InChI=1S/C16H14Cl4N2/c1-3-9-5-11(17)15(12(18)6-9)21-22-16-13(19)7-10(4-2)8-14(16)20/h5-8H,3-4H2,1-2H3/b22-21+.
What are the key properties of bis(2,6-dichloro-4-ethylphenyl)diazene?
bis(2,6-dichloro-4-ethylphenyl)diazene has a molecular weight of 376.11 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dichloro-4-ethylphenyl)diazene is sourced from PubChem (CID 155933221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).