5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

C23H23N5O3 — CID 136609205

IUPAC5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C23H23N5O3/c1-3-28(4-2)20-12-9-18(10-13-20)25-24-16-5-7-17(8-6-16)26-27-19-11-14-22(29)21(15-19)23(30)31/h5-15,29H,3-4H2,1-2H3,(H,30,31)/b25-24+,27-26+
InChIKeyZIKCLASGGLIJBP-JQRDNDPDSA-N
MW417.47 g/mol
LogP6.77
Rot. Bonds8

About 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 136609205) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
PubChem CID136609205
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C23H23N5O3/c1-3-28(4-2)20-12-9-18(10-13-20)25-24-16-5-7-17(8-6-16)26-27-19-11-14-22(29)21(15-19)23(30)31/h5-15,29H,3-4H2,1-2H3,(H,30,31)/b25-24+,27-26+
InChIKeyZIKCLASGGLIJBP-JQRDNDPDSA-N
XLogP6.77
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
CID 170854418
CID 170854418
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 167289773
2-[[4-[cyanomethyl(ethyl)amino]phenyl]diazenyl]-4-(dihydroxymethyl)benzoic acid
CID 91094447
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
CID 4076883
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (CID 136609205) is 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1.
What is the InChIKey of 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The InChIKey is ZIKCLASGGLIJBP-JQRDNDPDSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-28(4-2)20-12-9-18(10-13-20)25-24-16-5-7-17(8-6-16)26-27-19-11-14-22(29)21(15-19)23(30)31/h5-15,29H,3-4H2,1-2H3,(H,30,31)/b25-24+,27-26+.
What are the key properties of 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 417.47 g/mol, XLogP of 6.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 136609205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).