Anazolene

C₂₆H₁₉N₃O₁₀S₃ — CID 19732

About Anazolene

Anazolene (PubChem CID 19732) has the molecular formula C₂₆H₁₉N₃O₁₀S₃ and a molecular weight of 629.65 g/mol. Its IUPAC name is 4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

• Compound Name: Anazolene
• PubChem CID: 19732
• Molecular Formula: C₂₆H₁₉N₃O₁₀S₃
• Molecular Weight: 629.65 g/mol
• Exact Mass: 629.02
• IUPAC Name: 4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
• SMILES: O=S(=O)(O)c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)cc(S(=O)(=O)O)cc2c1
• InChI: InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b29-28+
• InChIKey: QFVHZQCOUORWEI-ZQHSETAFSA-N
• XLogP: 5.60
• TPSA: 220.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.65
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Anazolene?

The IUPAC name of Anazolene (CID 19732) is 4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.

What is the SMILES notation for Anazolene?

The canonical SMILES for Anazolene is O=S(=O)(O)c1cc(O)c2c(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)cc(S(=O)(=O)O)cc2c1.

What is the InChIKey of Anazolene?

The InChIKey is QFVHZQCOUORWEI-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b29-28+.

What are the key properties of Anazolene?

Anazolene has a molecular weight of 629.65 g/mol, XLogP of 5.60, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Anazolene is sourced from PubChem (CID 19732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19732 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 211 — approved-drug record (CC BY-SA 4.0)

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