7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide

C12H12Br2N2-2 — CID 14678990

IUPAC7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide
SMILESC1=CC2=C3C=CC=CN3CCN2C=C1.[Br-].[Br-]
InChIInChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/p-2
InChIKeyUSXNQPHRYHATNE-UHFFFAOYSA-L
MW344.05 g/mol
LogP-4.01
Rot. Bonds

About 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide

7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide (PubChem CID 14678990) has the molecular formula C12H12Br2N2-2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide.

Molecular Properties

Compound Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide
PubChem CID14678990
Molecular FormulaC12H12Br2N2-2
Molecular Weight344.05 g/mol
Exact Mass341.94
IUPAC Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide
SMILESC1=CC2=C3C=CC=CN3CCN2C=C1.[Br-].[Br-]
InChIInChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/p-2
InChIKeyUSXNQPHRYHATNE-UHFFFAOYSA-L
XLogP-4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide?
The IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide (CID 14678990) is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide.
What is the SMILES notation for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide?
The canonical SMILES for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide is C1=CC2=C3C=CC=CN3CCN2C=C1.[Br-].[Br-].
What is the InChIKey of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide?
The InChIKey is USXNQPHRYHATNE-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;;/h1-8H,9-10H2;2*1H/p-2.
What are the key properties of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide?
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide has a molecular weight of 344.05 g/mol, XLogP of -4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dibromide is sourced from PubChem (CID 14678990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).