5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

C33H23N7O10S2 — CID 137492459

About 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 137492459) has the molecular formula C33H23N7O10S2 and a molecular weight of 741.72 g/mol. Its IUPAC name is 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
• PubChem CID: 137492459
• Molecular Formula: C33H23N7O10S2
• Molecular Weight: 741.72 g/mol
• Exact Mass: 741.09
• IUPAC Name: 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
• SMILES: Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc(O)c(C(=O)O)c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2c1
• InChI: InChI=1S/C33H23N7O10S2/c34-18-1-8-23-17(13-18)14-30(52(48,49)50)31(32(23)42)40-39-28-11-10-27(24-9-7-22(16-25(24)28)51(45,46)47)38-36-20-4-2-19(3-5-20)35-37-21-6-12-29(41)26(15-21)33(43)44/h1-16,41-42H,34H2,(H,43,44)(H,45,46,47)(H,48,49,50)/b37-35+,38-36+,40-39+
• InChIKey: RMAIHIYJRXYJHN-MPJKNSADSA-N
• XLogP: 8.42
• TPSA: 286.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	741.72
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?

The IUPAC name of 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid (CID 137492459) is 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.

What is the SMILES notation for 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?

The canonical SMILES for 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc(O)c(C(=O)O)c5)cc4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2c1.

What is the InChIKey of 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?

The InChIKey is RMAIHIYJRXYJHN-MPJKNSADSA-N. The full InChI is InChI=1S/C33H23N7O10S2/c34-18-1-8-23-17(13-18)14-30(52(48,49)50)31(32(23)42)40-39-28-11-10-27(24-9-7-22(16-25(24)28)51(45,46)47)38-36-20-4-2-19(3-5-20)35-37-21-6-12-29(41)26(15-21)33(43)44/h1-16,41-42H,34H2,(H,43,44)(H,45,46,47)(H,48,49,50)/b37-35+,38-36+,40-39+.

What are the key properties of 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid?

5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 741.72 g/mol, XLogP of 8.42, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 137492459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).