3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate

C32H23N7O8S2-2 — CID 6824354

About 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate

3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate (PubChem CID 6824354) has the molecular formula C32H23N7O8S2-2 and a molecular weight of 697.71 g/mol. Its IUPAC name is 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate.

Molecular Properties

• Compound Name: 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate
• PubChem CID: 6824354
• Molecular Formula: C32H23N7O8S2-2
• Molecular Weight: 697.71 g/mol
• Exact Mass: 697.11
• IUPAC Name: 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate
• SMILES: Nc1cccc(NN=C2C(=O)c3ccc(Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1
• InChI: InChI=1S/C32H25N7O8S2/c33-19-3-1-5-23(15-19)36-38-29-27(48(42,43)44)13-17-11-21(7-9-25(17)31(29)40)35-22-8-10-26-18(12-22)14-28(49(45,46)47)30(32(26)41)39-37-24-6-2-4-20(34)16-24/h1-16,35-37H,33-34H2,(H,42,43,44)(H,45,46,47)/p-2
• InChIKey: GUXXLLAHPRKIPC-UHFFFAOYSA-L
• XLogP: 3.70
• TPSA: 261.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.71
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate?

The IUPAC name of 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate (CID 6824354) is 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate.

What is the SMILES notation for 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate?

The canonical SMILES for 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate is Nc1cccc(NN=C2C(=O)c3ccc(Nc4ccc5c(c4)C=C(S(=O)(=O)[O-])C(=NNc4cccc(N)c4)C5=O)cc3C=C2S(=O)(=O)[O-])c1.

What is the InChIKey of 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate?

The InChIKey is GUXXLLAHPRKIPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H25N7O8S2/c33-19-3-1-5-23(15-19)36-38-29-27(48(42,43)44)13-17-11-21(7-9-25(17)31(29)40)35-22-8-10-26-18(12-22)14-28(49(45,46)47)30(32(26)41)39-37-24-6-2-4-20(34)16-24/h1-16,35-37H,33-34H2,(H,42,43,44)(H,45,46,47)/p-2.

What are the key properties of 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate?

3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate has a molecular weight of 697.71 g/mol, XLogP of 3.70, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-aminophenyl)hydrazinylidene]-7-[[6-[(3-aminophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate is sourced from PubChem (CID 6824354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).