(4-nitrophenyl)-phenyldiazene

C12H9N3O2 — CID 17222

IUPAC(4-nitrophenyl)-phenyldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H/b14-13+
InChIKeyTZTDJBMGPQLSLI-BUHFOSPRSA-N
MW227.22 g/mol
LogP4.01
Rot. Bonds3

About (4-nitrophenyl)-phenyldiazene

(4-nitrophenyl)-phenyldiazene (PubChem CID 17222) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (4-nitrophenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-nitrophenyl)-phenyldiazene
PubChem CID17222
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(4-nitrophenyl)-phenyldiazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H/b14-13+
InChIKeyTZTDJBMGPQLSLI-BUHFOSPRSA-N
XLogP4.01
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
CID 22625442
methyl-(4-nitrophenyl)diazene
CID 20760343
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
(4-nitrophenyl)-(2-phenylethynyl)diazene
CID 134901679
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
CID 70479736
arsane;nitrobenzene
CID 174282180
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-phenyldiazene?
The IUPAC name of (4-nitrophenyl)-phenyldiazene (CID 17222) is (4-nitrophenyl)-phenyldiazene.
What is the SMILES notation for (4-nitrophenyl)-phenyldiazene?
The canonical SMILES for (4-nitrophenyl)-phenyldiazene is O=[N+]([O-])c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-nitrophenyl)-phenyldiazene?
The InChIKey is TZTDJBMGPQLSLI-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H/b14-13+.
What are the key properties of (4-nitrophenyl)-phenyldiazene?
(4-nitrophenyl)-phenyldiazene has a molecular weight of 227.22 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-phenyldiazene is sourced from PubChem (CID 17222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).