7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene

C12H12N2+2 — CID 22237891

IUPAC7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene
SMILESC1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-12H/q+2
InChIKeyQATZMUVNRVEYIZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.07
Rot. Bonds

About 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene (PubChem CID 22237891) has the molecular formula C12H12N2+2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene.

Molecular Properties

Compound Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene
PubChem CID22237891
Molecular FormulaC12H12N2+2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene
SMILESC1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-12H/q+2
InChIKeyQATZMUVNRVEYIZ-UHFFFAOYSA-N
XLogP1.07
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene (CID 22237891) is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene.
What is the SMILES notation for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The canonical SMILES for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene is C1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1.
What is the InChIKey of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The InChIKey is QATZMUVNRVEYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-12H/q+2.
What are the key properties of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene?
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene has a molecular weight of 184.24 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene is sourced from PubChem (CID 22237891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).