4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline

C25H28ClN5 — CID 71322374

IUPAC4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
SMILESCCCCCCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H28ClN5/c1-3-4-5-6-19-31(2)25-17-15-24(16-18-25)30-29-23-13-11-22(12-14-23)28-27-21-9-7-20(26)8-10-21/h7-18H,3-6,19H2,1-2H3/b28-27+,30-29+
InChIKeyMTHGOSMLBMBWNL-XOXGWFOHSA-N
MW433.99 g/mol
LogP9.19
Rot. Bonds10

About 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline

4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline (PubChem CID 71322374) has the molecular formula C25H28ClN5 and a molecular weight of 433.99 g/mol. Its IUPAC name is 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline.

Molecular Properties

Compound Name4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
PubChem CID71322374
Molecular FormulaC25H28ClN5
Molecular Weight433.99 g/mol
Exact Mass433.20
IUPAC Name4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
SMILESCCCCCCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H28ClN5/c1-3-4-5-6-19-31(2)25-17-15-24(16-18-25)30-29-23-13-11-22(12-14-23)28-27-21-9-7-20(26)8-10-21/h7-18H,3-6,19H2,1-2H3/b28-27+,30-29+
InChIKeyMTHGOSMLBMBWNL-XOXGWFOHSA-N
XLogP9.19
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.99
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282
N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
CID 89273655
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-methyl-4-[[4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]diazenyl]-N-octylaniline
CID 20761069
N-heptyl-N-methylaniline
CID 54015540
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
4-[(4-bromophenyl)diazenyl]-N-butyl-N-hexylaniline
CID 169054222
3-[4-[(4-chlorophenyl)diazenyl]-N-methylanilino]propane-1,2-diol
CID 101494589

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline?
The IUPAC name of 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline (CID 71322374) is 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline.
What is the SMILES notation for 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline?
The canonical SMILES for 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline is CCCCCCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline?
The InChIKey is MTHGOSMLBMBWNL-XOXGWFOHSA-N. The full InChI is InChI=1S/C25H28ClN5/c1-3-4-5-6-19-31(2)25-17-15-24(16-18-25)30-29-23-13-11-22(12-14-23)28-27-21-9-7-20(26)8-10-21/h7-18H,3-6,19H2,1-2H3/b28-27+,30-29+.
What are the key properties of 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline?
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline has a molecular weight of 433.99 g/mol, XLogP of 9.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline is sourced from PubChem (CID 71322374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).