3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid

C32H25N9O7S2 — CID 6811642

About 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid

3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid (PubChem CID 6811642) has the molecular formula C32H25N9O7S2 and a molecular weight of 711.74 g/mol. Its IUPAC name is 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid.

Molecular Properties

• Compound Name: 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
• PubChem CID: 6811642
• Molecular Formula: C32H25N9O7S2
• Molecular Weight: 711.74 g/mol
• Exact Mass: 711.13
• IUPAC Name: 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
• SMILES: Nc1ccc(/N=N/c2ccc3c(c2)C(=O)C(=NNc2ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)O)cc45)cc2)C(S(=O)(=O)O)=C3)c(N)c1
• InChI: InChI=1S/C32H25N9O7S2/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48)/b39-36+,40-38+,41-31?
• InChIKey: YGEBKOZJUXEBBK-DRAHAMLDSA-N
• XLogP: 6.56
• TPSA: 277.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	711.74
LogP ≤ 5	6.56
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': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid?

The IUPAC name of 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid (CID 6811642) is 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid.

What is the SMILES notation for 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid?

The canonical SMILES for 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid is Nc1ccc(/N=N/c2ccc3c(c2)C(=O)C(=NNc2ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)O)cc45)cc2)C(S(=O)(=O)O)=C3)c(N)c1.

What is the InChIKey of 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid?

The InChIKey is YGEBKOZJUXEBBK-DRAHAMLDSA-N. The full InChI is InChI=1S/C32H25N9O7S2/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48)/b39-36+,40-38+,41-31?.

What are the key properties of 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid?

3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid has a molecular weight of 711.74 g/mol, XLogP of 6.56, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid is sourced from PubChem (CID 6811642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).