(2,4-dinitrophenyl)-(2-phenylphenyl)diazene

C18H12N4O4 — CID 134935970

IUPAC(2,4-dinitrophenyl)-(2-phenylphenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12N4O4/c23-21(24)14-10-11-17(18(12-14)22(25)26)20-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H/b20-19+
InChIKeyOXDKWBKYIGIMRZ-FMQUCBEESA-N
MW348.32 g/mol
LogP5.59
Rot. Bonds5

About (2,4-dinitrophenyl)-(2-phenylphenyl)diazene

(2,4-dinitrophenyl)-(2-phenylphenyl)diazene (PubChem CID 134935970) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(2-phenylphenyl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(2-phenylphenyl)diazene
PubChem CID134935970
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC Name(2,4-dinitrophenyl)-(2-phenylphenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12N4O4/c23-21(24)14-10-11-17(18(12-14)22(25)26)20-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H/b20-19+
InChIKeyOXDKWBKYIGIMRZ-FMQUCBEESA-N
XLogP5.59
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(2-phenylphenyl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(2-phenylphenyl)diazene (CID 134935970) is (2,4-dinitrophenyl)-(2-phenylphenyl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(2-phenylphenyl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(2-phenylphenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2,4-dinitrophenyl)-(2-phenylphenyl)diazene?
The InChIKey is OXDKWBKYIGIMRZ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H12N4O4/c23-21(24)14-10-11-17(18(12-14)22(25)26)20-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H/b20-19+.
What are the key properties of (2,4-dinitrophenyl)-(2-phenylphenyl)diazene?
(2,4-dinitrophenyl)-(2-phenylphenyl)diazene has a molecular weight of 348.32 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(2-phenylphenyl)diazene is sourced from PubChem (CID 134935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).