4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

C21H19N5O3 — CID 167289773

IUPAC4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)O)c(O)c3)cc2)cc1
InChIInChI=1S/C21H19N5O3/c1-26(2)18-10-7-16(8-11-18)23-22-14-3-5-15(6-4-14)24-25-17-9-12-19(21(28)29)20(27)13-17/h3-13,27H,1-2H3,(H,28,29)/b23-22+,25-24+
InChIKeyMXSMJLZXQIOZMS-VTJHEJDCSA-N
MW389.42 g/mol
LogP5.99
Rot. Bonds6

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

4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 167289773) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
PubChem CID167289773
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)O)c(O)c3)cc2)cc1
InChIInChI=1S/C21H19N5O3/c1-26(2)18-10-7-16(8-11-18)23-22-14-3-5-15(6-4-14)24-25-17-9-12-19(21(28)29)20(27)13-17/h3-13,27H,1-2H3,(H,28,29)/b23-22+,25-24+
InChIKeyMXSMJLZXQIOZMS-VTJHEJDCSA-N
XLogP5.99
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.99
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-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
4-[[4-(dimethylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 43823123
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732
4-[[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid
CID 27433015
5-(dimethylamino)-2-[(4-sulfophenyl)diazenyl]benzoic acid
CID 86059603
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[[4-(dimethylamino)phenyl]diazenyl]-3-nitrosobenzoic acid
CID 88907308
2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
CID 22035165
2-[[4-(dimethylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid
CID 21429677
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
CID 136714423
2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
CID 102448148

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (CID 167289773) is 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is CN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)O)c(O)c3)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
The InChIKey is MXSMJLZXQIOZMS-VTJHEJDCSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-26(2)18-10-7-16(8-11-18)23-22-14-3-5-15(6-4-14)24-25-17-9-12-19(21(28)29)20(27)13-17/h3-13,27H,1-2H3,(H,28,29)/b23-22+,25-24+.
What are the key properties of 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?
4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 389.42 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 167289773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).