5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

C12H10Br2N2 — CID 21443613

IUPAC5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESBrC1=C(Br)N2CCN3C=CC=CC3=C2C=C1
InChIInChI=1S/C12H10Br2N2/c13-9-4-5-11-10-3-1-2-6-15(10)7-8-16(11)12(9)14/h1-6H,7-8H2
InChIKeyWIVMIMCSTWBPFF-UHFFFAOYSA-N
MW342.03 g/mol
LogP3.43
Rot. Bonds

About 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (PubChem CID 21443613) has the molecular formula C12H10Br2N2 and a molecular weight of 342.03 g/mol. Its IUPAC name is 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.

Molecular Properties

Compound Name5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
PubChem CID21443613
Molecular FormulaC12H10Br2N2
Molecular Weight342.03 g/mol
Exact Mass339.92
IUPAC Name5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESBrC1=C(Br)N2CCN3C=CC=CC3=C2C=C1
InChIInChI=1S/C12H10Br2N2/c13-9-4-5-11-10-3-1-2-6-15(10)7-8-16(11)12(9)14/h1-6H,7-8H2
InChIKeyWIVMIMCSTWBPFF-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The IUPAC name of 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (CID 21443613) is 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.
What is the SMILES notation for 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The canonical SMILES for 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is BrC1=C(Br)N2CCN3C=CC=CC3=C2C=C1.
What is the InChIKey of 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The InChIKey is WIVMIMCSTWBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2/c13-9-4-5-11-10-3-1-2-6-15(10)7-8-16(11)12(9)14/h1-6H,7-8H2.
What are the key properties of 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene has a molecular weight of 342.03 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is sourced from PubChem (CID 21443613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).