1-azido-4-(4-azidophenoxy)benzene

C12H8N6O — CID 13302447

IUPAC1-azido-4-(4-azidophenoxy)benzene
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C12H8N6O/c13-17-15-9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)16-18-14/h1-8H
InChIKeyBVKCTCWYHGXELK-UHFFFAOYSA-N
MW252.24 g/mol
LogP5.36
Rot. Bonds4

About 1-azido-4-(4-azidophenoxy)benzene

1-azido-4-(4-azidophenoxy)benzene (PubChem CID 13302447) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-azido-4-(4-azidophenoxy)benzene.

Molecular Properties

Compound Name1-azido-4-(4-azidophenoxy)benzene
PubChem CID13302447
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-azido-4-(4-azidophenoxy)benzene
SMILES[N-]=[N+]=Nc1ccc(Oc2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C12H8N6O/c13-17-15-9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)16-18-14/h1-8H
InChIKeyBVKCTCWYHGXELK-UHFFFAOYSA-N
XLogP5.36
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-4-(4-azidophenoxy)benzene?
The IUPAC name of 1-azido-4-(4-azidophenoxy)benzene (CID 13302447) is 1-azido-4-(4-azidophenoxy)benzene.
What is the SMILES notation for 1-azido-4-(4-azidophenoxy)benzene?
The canonical SMILES for 1-azido-4-(4-azidophenoxy)benzene is [N-]=[N+]=Nc1ccc(Oc2ccc(N=[N+]=[N-])cc2)cc1.
What is the InChIKey of 1-azido-4-(4-azidophenoxy)benzene?
The InChIKey is BVKCTCWYHGXELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c13-17-15-9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)16-18-14/h1-8H.
What are the key properties of 1-azido-4-(4-azidophenoxy)benzene?
1-azido-4-(4-azidophenoxy)benzene has a molecular weight of 252.24 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-(4-azidophenoxy)benzene is sourced from PubChem (CID 13302447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).