1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene

C18H14N6O2 — CID 90736741

IUPAC1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene
SMILESN/N=N/c1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=N/c1ccccc1
InChIInChI=1S/C18H14N6O2/c19-23-21-15-11-12-16(24(25)26)17(13-7-3-1-4-8-13)18(15)22-20-14-9-5-2-6-10-14/h1-12H,(H2,19,21)/b22-20+
InChIKeyWJMLGEFYEOBZJO-LSDHQDQOSA-N
MW346.35 g/mol
LogP5.63
Rot. Bonds5

About 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene

1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene (PubChem CID 90736741) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene
PubChem CID90736741
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene
SMILESN/N=N/c1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=N/c1ccccc1
InChIInChI=1S/C18H14N6O2/c19-23-21-15-11-12-16(24(25)26)17(13-7-3-1-4-8-13)18(15)22-20-14-9-5-2-6-10-14/h1-12H,(H2,19,21)/b22-20+
InChIKeyWJMLGEFYEOBZJO-LSDHQDQOSA-N
XLogP5.63
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.63
H-Bond Donors ≤ 51
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': 'hydrazine', '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-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene?
The IUPAC name of 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene (CID 90736741) is 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene is N/N=N/c1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=N/c1ccccc1.
What is the InChIKey of 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene?
The InChIKey is WJMLGEFYEOBZJO-LSDHQDQOSA-N. The full InChI is InChI=1S/C18H14N6O2/c19-23-21-15-11-12-16(24(25)26)17(13-7-3-1-4-8-13)18(15)22-20-14-9-5-2-6-10-14/h1-12H,(H2,19,21)/b22-20+.
What are the key properties of 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene?
1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene has a molecular weight of 346.35 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-4-nitro-3-phenyl-2-phenyldiazenylbenzene is sourced from PubChem (CID 90736741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).