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

C12H12Br2N2 — CID 22237892

IUPAC7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide
SMILESC1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1.[Br-].[Br-]
InChIInChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-12H;2*1H/q+2;;/p-2
InChIKeyJMWOMZMFBCIJMW-UHFFFAOYSA-L
MW344.05 g/mol
LogP-4.92
Rot. Bonds

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

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide (PubChem CID 22237892) has the molecular formula C12H12Br2N2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide.

Molecular Properties

Compound Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide
PubChem CID22237892
Molecular FormulaC12H12Br2N2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide
SMILESC1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1.[Br-].[Br-]
InChIInChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-12H;2*1H/q+2;;/p-2
InChIKeyJMWOMZMFBCIJMW-UHFFFAOYSA-L
XLogP-4.92
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 5-4.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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 dibromide?
The IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide (CID 22237892) is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide.
What is the SMILES notation for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide?
The canonical SMILES for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide is C1=CC2C3C=CC=C[N+]3=CC=[N+]2C=C1.[Br-].[Br-].
What is the InChIKey of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide?
The InChIKey is JMWOMZMFBCIJMW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-12H;2*1H/q+2;;/p-2.
What are the key properties of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide?
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-3,5,7,9,11,13-hexaene dibromide has a molecular weight of 344.05 g/mol, XLogP of -4.92, 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 dibromide is sourced from PubChem (CID 22237892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).