1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene

C14H10N6 — CID 5375803

IUPAC1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H10N6/c15-19-17-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)18-20-16/h1-10H/b2-1+
InChIKeyHWEONUWVYWIJPF-OWOJBTEDSA-N
MW262.28 g/mol
LogP5.74
Rot. Bonds4

About 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene

1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene (PubChem CID 5375803) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene
PubChem CID5375803
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H10N6/c15-19-17-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)18-20-16/h1-10H/b2-1+
InChIKeyHWEONUWVYWIJPF-OWOJBTEDSA-N
XLogP5.74
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.28
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene?
The IUPAC name of 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene (CID 5375803) is 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene.
What is the SMILES notation for 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene?
The canonical SMILES for 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene is [N-]=[N+]=Nc1ccc(/C=C/c2ccc(N=[N+]=[N-])cc2)cc1.
What is the InChIKey of 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene?
The InChIKey is HWEONUWVYWIJPF-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H10N6/c15-19-17-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)18-20-16/h1-10H/b2-1+.
What are the key properties of 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene?
1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene has a molecular weight of 262.28 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-[(E)-2-(4-azidophenyl)ethenyl]benzene is sourced from PubChem (CID 5375803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).