Acid Yellow 23 Aluminium lake

C16H12AlN4O9S2 — CID 56843209

IUPAC—
SMILESO=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1.[Al]
InChIInChI=1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/b18-17+;
InChIKeyPBHOALFJUHNTNW-ZAGWXBKKSA-N
MW495.41 g/mol
LogP0.74
Rot. Bonds6

About Acid Yellow 23 Aluminium lake

Acid Yellow 23 Aluminium lake (PubChem CID 56843209) has the molecular formula C16H12AlN4O9S2 and a molecular weight of 495.41 g/mol.

Molecular Properties

Compound NameAcid Yellow 23 Aluminium lake
PubChem CID56843209
Molecular FormulaC16H12AlN4O9S2
Molecular Weight495.41 g/mol
Exact Mass494.99
IUPAC Name—
SMILESO=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1.[Al]
InChIInChI=1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/b18-17+;
InChIKeyPBHOALFJUHNTNW-ZAGWXBKKSA-N
XLogP0.74
TPSA203.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze Acid Yellow 23 Aluminium lake with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alumane;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 175302839
5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
CID 88641283
4-[[5-(methylamino)-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
CID 20741796
5-oxo-1-(4-sulfophenyl)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 89201057
[3-carboxy-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azanium
CID 143578396
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
CID 3020110
4-[[7-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-8-hydroxy-6-sulfonaphthalen-2-yl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
CID 136606797
CID 170842782
CID 170842782
(4R)-5-methyl-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98285017
5-oxo-1-(2-sulfophenyl)-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 3731972
barium(2+);4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate
CID 21124835
4-methyl-2-[5-methyl-4-[[(4S)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]-5-[[(4R)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 124635902

Frequently Asked Questions

What is the IUPAC name of Acid Yellow 23 Aluminium lake?
The IUPAC name of Acid Yellow 23 Aluminium lake (CID 56843209) is not available.
What is the SMILES notation for Acid Yellow 23 Aluminium lake?
The canonical SMILES for Acid Yellow 23 Aluminium lake is O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1.[Al].
What is the InChIKey of Acid Yellow 23 Aluminium lake?
The InChIKey is PBHOALFJUHNTNW-ZAGWXBKKSA-N. The full InChI is InChI=1S/C16H12N4O9S2.Al/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/b18-17+;.
What are the key properties of Acid Yellow 23 Aluminium lake?
Acid Yellow 23 Aluminium lake has a molecular weight of 495.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Acid Yellow 23 Aluminium lake is sourced from PubChem (CID 56843209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).