diphenyldiazene;1-ethenyl-2-nitrobenzene

C20H17N3O2 — CID 175087303

IUPACdiphenyldiazene;1-ethenyl-2-nitrobenzene
SMILESC=Cc1ccccc1[N+](=O)[O-].c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C8H7NO2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)11/h1-10H;2-6H,1H2/b14-13+;
InChIKeyKPERREVDIRAEFG-IERUDJENSA-N
MW331.38 g/mol
LogP6.34
Rot. Bonds4

About diphenyldiazene;1-ethenyl-2-nitrobenzene

diphenyldiazene;1-ethenyl-2-nitrobenzene (PubChem CID 175087303) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is diphenyldiazene;1-ethenyl-2-nitrobenzene.

Molecular Properties

Compound Namediphenyldiazene;1-ethenyl-2-nitrobenzene
PubChem CID175087303
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Namediphenyldiazene;1-ethenyl-2-nitrobenzene
SMILESC=Cc1ccccc1[N+](=O)[O-].c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C8H7NO2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)11/h1-10H;2-6H,1H2/b14-13+;
InChIKeyKPERREVDIRAEFG-IERUDJENSA-N
XLogP6.34
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 56.34
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'}

Analyze diphenyldiazene;1-ethenyl-2-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-2-nitrobenzene;phenol
CID 174937072
[2-(2-nitrophenyl)phenyl]-phenyldiazene
CID 15701872
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
sodium 2-nitrobenzaldehyde
CID 23669302
(4-nitrophenyl)-phenyldiazene
CID 17222
ethane;2-nitrobenzaldehyde
CID 91029364
N-methyl-1-(2-nitrophenyl)methanimine oxide
CID 6193987
1-nitro-2-(2-nitroethenyl)benzene
CID 59408863
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265

Frequently Asked Questions

What is the IUPAC name of diphenyldiazene;1-ethenyl-2-nitrobenzene?
The IUPAC name of diphenyldiazene;1-ethenyl-2-nitrobenzene (CID 175087303) is diphenyldiazene;1-ethenyl-2-nitrobenzene.
What is the SMILES notation for diphenyldiazene;1-ethenyl-2-nitrobenzene?
The canonical SMILES for diphenyldiazene;1-ethenyl-2-nitrobenzene is C=Cc1ccccc1[N+](=O)[O-].c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;1-ethenyl-2-nitrobenzene?
The InChIKey is KPERREVDIRAEFG-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2.C8H7NO2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9(10)11/h1-10H;2-6H,1H2/b14-13+;.
What are the key properties of diphenyldiazene;1-ethenyl-2-nitrobenzene?
diphenyldiazene;1-ethenyl-2-nitrobenzene has a molecular weight of 331.38 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;1-ethenyl-2-nitrobenzene is sourced from PubChem (CID 175087303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).