3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid

C26H19N5O4S — CID 136714819

About 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid

3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid (PubChem CID 136714819) has the molecular formula C26H19N5O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

• Compound Name: 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
• PubChem CID: 136714819
• Molecular Formula: C26H19N5O4S
• Molecular Weight: 497.54 g/mol
• Exact Mass: 497.12
• IUPAC Name: 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
• SMILES: Nc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)c2ccccc12
• InChI: InChI=1S/C26H19N5O4S/c27-22-13-14-23(19-6-2-1-5-18(19)22)30-28-16-9-11-17(12-10-16)29-31-24-15-25(36(33,34)35)20-7-3-4-8-21(20)26(24)32/h1-15,32H,27H2,(H,33,34,35)/b30-28+,31-29+
• InChIKey: FTJUUOZMOLEZMW-FUEWEDNTSA-N
• XLogP: 7.36
• TPSA: 150.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.54
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid?

The IUPAC name of 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid (CID 136714819) is 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid.

What is the SMILES notation for 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid?

The canonical SMILES for 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid is Nc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)c2ccccc12.

What is the InChIKey of 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid?

The InChIKey is FTJUUOZMOLEZMW-FUEWEDNTSA-N. The full InChI is InChI=1S/C26H19N5O4S/c27-22-13-14-23(19-6-2-1-5-18(19)22)30-28-16-9-11-17(12-10-16)29-31-24-15-25(36(33,34)35)20-7-3-4-8-21(20)26(24)32/h1-15,32H,27H2,(H,33,34,35)/b30-28+,31-29+.

What are the key properties of 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid?

3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 497.54 g/mol, XLogP of 7.36, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 136714819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).