1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine

C19H14N4O2 — CID 555781

IUPAC1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H14N4O2/c24-23(25)19-8-4-5-15(13-19)14-20-16-9-11-18(12-10-16)22-21-17-6-2-1-3-7-17/h1-14H/b20-14+,22-21+
InChIKeyWWRKYXPXQZJAGM-CZPSDBATSA-N
MW330.35 g/mol
LogP5.76
Rot. Bonds5

About 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine

1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 555781) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID555781
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H14N4O2/c24-23(25)19-8-4-5-15(13-19)14-20-16-9-11-18(12-10-16)22-21-17-6-2-1-3-7-17/h1-14H/b20-14+,22-21+
InChIKeyWWRKYXPXQZJAGM-CZPSDBATSA-N
XLogP5.76
TPSA80.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine (CID 555781) is 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is WWRKYXPXQZJAGM-CZPSDBATSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-23(25)19-8-4-5-15(13-19)14-20-16-9-11-18(12-10-16)22-21-17-6-2-1-3-7-17/h1-14H/b20-14+,22-21+.
What are the key properties of 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine?
1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 330.35 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 555781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).