[2-(2-nitrophenyl)phenyl]-phenyldiazene

C18H13N3O2 — CID 15701872

IUPAC[2-(2-nitrophenyl)phenyl]-phenyldiazene
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C18H13N3O2/c22-21(23)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-19-14-8-2-1-3-9-14/h1-13H/b20-19+
InChIKeyVHVOVJRLEFTFSE-FMQUCBEESA-N
MW303.32 g/mol
LogP5.68
Rot. Bonds4

About [2-(2-nitrophenyl)phenyl]-phenyldiazene

[2-(2-nitrophenyl)phenyl]-phenyldiazene (PubChem CID 15701872) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-(2-nitrophenyl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[2-(2-nitrophenyl)phenyl]-phenyldiazene
PubChem CID15701872
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name[2-(2-nitrophenyl)phenyl]-phenyldiazene
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C18H13N3O2/c22-21(23)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-19-14-8-2-1-3-9-14/h1-13H/b20-19+
InChIKeyVHVOVJRLEFTFSE-FMQUCBEESA-N
XLogP5.68
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.68
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

(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
diphenyldiazene;1-ethenyl-2-nitrobenzene
CID 175087303
(4-nitrophenyl)-phenyldiazene
CID 17222
(4-nitro-9-phenyl-9H-fluoren-1-yl)-phenyldiazene
CID 88837265
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
CID 159930527
CID 57168249
CID 57168249
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
1-ethynyl-2-(2-nitrophenyl)benzene
CID 163365912
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
chloro-(2-nitrophenyl)diazene
CID 13403227

Frequently Asked Questions

What is the IUPAC name of [2-(2-nitrophenyl)phenyl]-phenyldiazene?
The IUPAC name of [2-(2-nitrophenyl)phenyl]-phenyldiazene (CID 15701872) is [2-(2-nitrophenyl)phenyl]-phenyldiazene.
What is the SMILES notation for [2-(2-nitrophenyl)phenyl]-phenyldiazene?
The canonical SMILES for [2-(2-nitrophenyl)phenyl]-phenyldiazene is O=[N+]([O-])c1ccccc1-c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of [2-(2-nitrophenyl)phenyl]-phenyldiazene?
The InChIKey is VHVOVJRLEFTFSE-FMQUCBEESA-N. The full InChI is InChI=1S/C18H13N3O2/c22-21(23)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-19-14-8-2-1-3-9-14/h1-13H/b20-19+.
What are the key properties of [2-(2-nitrophenyl)phenyl]-phenyldiazene?
[2-(2-nitrophenyl)phenyl]-phenyldiazene has a molecular weight of 303.32 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-nitrophenyl)phenyl]-phenyldiazene is sourced from PubChem (CID 15701872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).