5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C12H6Br2N2 — CID 163672020

IUPAC5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=C1c2cc(Br)cnc2-c2ncc(Br)cc21
InChIInChI=1S/C12H6Br2N2/c1-6-9-2-7(13)4-15-11(9)12-10(6)3-8(14)5-16-12/h2-5H,1H2
InChIKeyJDJOILVGQRLPEJ-UHFFFAOYSA-N
MW338.00 g/mol
LogP4.04
Rot. Bonds

About 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 163672020) has the molecular formula C12H6Br2N2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID163672020
Molecular FormulaC12H6Br2N2
Molecular Weight338.00 g/mol
Exact Mass335.89
IUPAC Name5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=C1c2cc(Br)cnc2-c2ncc(Br)cc21
InChIInChI=1S/C12H6Br2N2/c1-6-9-2-7(13)4-15-11(9)12-10(6)3-8(14)5-16-12/h2-5H,1H2
InChIKeyJDJOILVGQRLPEJ-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-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 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 163672020) is 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C=C1c2cc(Br)cnc2-c2ncc(Br)cc21.
What is the InChIKey of 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is JDJOILVGQRLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2/c1-6-9-2-7(13)4-15-11(9)12-10(6)3-8(14)5-16-12/h2-5H,1H2.
What are the key properties of 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 338.00 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromo-8-methylidene-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 163672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).