stilbene azide

C14H12N3- — CID 159769295

IUPACstilbene azide
SMILESC(=Cc1ccccc1)c1ccccc1.[N-]=[N+]=[N-]
InChIInChI=1S/C14H12.N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-12H;/q;-1
InChIKeyNFXGPHVXLJWKDK-UHFFFAOYSA-N
MW222.27 g/mol
LogP4.72
Rot. Bonds2

About stilbene azide

stilbene azide (PubChem CID 159769295) has the molecular formula C14H12N3- and a molecular weight of 222.27 g/mol. Its IUPAC name is stilbene azide.

Molecular Properties

Compound Namestilbene azide
PubChem CID159769295
Molecular FormulaC14H12N3-
Molecular Weight222.27 g/mol
Exact Mass222.10
IUPAC Namestilbene azide
SMILESC(=Cc1ccccc1)c1ccccc1.[N-]=[N+]=[N-]
InChIInChI=1S/C14H12.N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-12H;/q;-1
InChIKeyNFXGPHVXLJWKDK-UHFFFAOYSA-N
XLogP4.72
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
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CID 162273071
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CID 68618408
1-isocyano-4-[(E)-2-phenylethenyl]benzene
CID 122188192
CID 173401175
CID 173401175
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
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CID 71360336

Frequently Asked Questions

What is the IUPAC name of stilbene azide?
The IUPAC name of stilbene azide (CID 159769295) is stilbene azide.
What is the SMILES notation for stilbene azide?
The canonical SMILES for stilbene azide is C(=Cc1ccccc1)c1ccccc1.[N-]=[N+]=[N-].
What is the InChIKey of stilbene azide?
The InChIKey is NFXGPHVXLJWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-12H;/q;-1.
What are the key properties of stilbene azide?
stilbene azide has a molecular weight of 222.27 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for stilbene azide is sourced from PubChem (CID 159769295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).