[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate

C19H16N4O5 — CID 134879860

IUPAC[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate
SMILESO=C(O)c1ccc(NN=[N+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])[O-]
InChIInChI=1S/C19H15N3O2.NO3/c23-19(24)15-11-13-16(14-12-15)20-21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2-1(3)4/h1-14H,(H,23,24);/q;-1/p+1
InChIKeyFELXFNMLHXIUJY-UHFFFAOYSA-O
MW380.36 g/mol
LogP4.46
Rot. Bonds5

About [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate

[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate (PubChem CID 134879860) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate.

Molecular Properties

Compound Name[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate
PubChem CID134879860
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate
SMILESO=C(O)c1ccc(NN=[N+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])[O-]
InChIInChI=1S/C19H15N3O2.NO3/c23-19(24)15-11-13-16(14-12-15)20-21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2-1(3)4/h1-14H,(H,23,24);/q;-1/p+1
InChIKeyFELXFNMLHXIUJY-UHFFFAOYSA-O
XLogP4.46
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate?
The IUPAC name of [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate (CID 134879860) is [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate.
What is the SMILES notation for [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate?
The canonical SMILES for [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate is O=C(O)c1ccc(NN=[N+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])[O-].
What is the InChIKey of [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate?
The InChIKey is FELXFNMLHXIUJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N3O2.NO3/c23-19(24)15-11-13-16(14-12-15)20-21-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2-1(3)4/h1-14H,(H,23,24);/q;-1/p+1.
What are the key properties of [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate?
[(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate has a molecular weight of 380.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-carboxyphenyl)hydrazinylidene]-diphenylazanium nitrate is sourced from PubChem (CID 134879860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).