(2-azidophenyl)-phenyldiazene;1-nitronaphthalene

C22H16N6O2 — CID 159930527

IUPAC(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
SMILESO=[N+]([O-])c1cccc2ccccc12.[N-]=[N+]=Nc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C12H9N5.C10H7NO2/c13-17-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-9H;1-7H/b15-14+;
InChIKeyNZOSULSUAMEDAR-WPDLWGESSA-N
MW396.41 g/mol
LogP7.79
Rot. Bonds4

About (2-azidophenyl)-phenyldiazene;1-nitronaphthalene

(2-azidophenyl)-phenyldiazene;1-nitronaphthalene (PubChem CID 159930527) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is (2-azidophenyl)-phenyldiazene;1-nitronaphthalene.

Molecular Properties

Compound Name(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
PubChem CID159930527
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
SMILESO=[N+]([O-])c1cccc2ccccc12.[N-]=[N+]=Nc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C12H9N5.C10H7NO2/c13-17-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-9H;1-7H/b15-14+;
InChIKeyNZOSULSUAMEDAR-WPDLWGESSA-N
XLogP7.79
TPSA116.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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

1-nitronaphthalene;hydrate
CID 174470741
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
formonitrile;1-nitronaphthalene
CID 174387830
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
[2-(2-nitrophenyl)phenyl]-phenyldiazene
CID 15701872
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
4-nitrophenanthrene
CID 139058403
1-azidophenanthrene
CID 14121608
potassium;(2-azido-3-phenylphenyl)-(4-nitrophenyl)diazene;ethanol;hydroxide
CID 174886147
CID 57168249
CID 57168249
1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine
CID 15482968

Frequently Asked Questions

What is the IUPAC name of (2-azidophenyl)-phenyldiazene;1-nitronaphthalene?
The IUPAC name of (2-azidophenyl)-phenyldiazene;1-nitronaphthalene (CID 159930527) is (2-azidophenyl)-phenyldiazene;1-nitronaphthalene.
What is the SMILES notation for (2-azidophenyl)-phenyldiazene;1-nitronaphthalene?
The canonical SMILES for (2-azidophenyl)-phenyldiazene;1-nitronaphthalene is O=[N+]([O-])c1cccc2ccccc12.[N-]=[N+]=Nc1ccccc1/N=N/c1ccccc1.
What is the InChIKey of (2-azidophenyl)-phenyldiazene;1-nitronaphthalene?
The InChIKey is NZOSULSUAMEDAR-WPDLWGESSA-N. The full InChI is InChI=1S/C12H9N5.C10H7NO2/c13-17-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-9H;1-7H/b15-14+;.
What are the key properties of (2-azidophenyl)-phenyldiazene;1-nitronaphthalene?
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene has a molecular weight of 396.41 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azidophenyl)-phenyldiazene;1-nitronaphthalene is sourced from PubChem (CID 159930527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).