2,8-dibromobenzo[c][1,5]benzodiazocine

C14H8Br2N2 — CID 102228628

IUPAC2,8-dibromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc/c2c(c1)=C/N=c1/ccc(Br)cc1=C/N=2
InChIInChI=1S/C14H8Br2N2/c15-11-1-3-13-9(5-11)7-18-14-4-2-12(16)6-10(14)8-17-13/h1-8H/b9-7?,10-8?,17-8?,17-13-,18-7?,18-14-
InChIKeyXJGPSHJOHQHABZ-GVPPPSKTSA-N
MW364.04 g/mol
LogP1.64
Rot. Bonds

About 2,8-dibromobenzo[c][1,5]benzodiazocine

2,8-dibromobenzo[c][1,5]benzodiazocine (PubChem CID 102228628) has the molecular formula C14H8Br2N2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 2,8-dibromobenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name2,8-dibromobenzo[c][1,5]benzodiazocine
PubChem CID102228628
Molecular FormulaC14H8Br2N2
Molecular Weight364.04 g/mol
Exact Mass361.91
IUPAC Name2,8-dibromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc/c2c(c1)=C/N=c1/ccc(Br)cc1=C/N=2
InChIInChI=1S/C14H8Br2N2/c15-11-1-3-13-9(5-11)7-18-14-4-2-12(16)6-10(14)8-17-13/h1-8H/b9-7?,10-8?,17-8?,17-13-,18-7?,18-14-
InChIKeyXJGPSHJOHQHABZ-GVPPPSKTSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,8-dibromobenzo[c][1,5]benzodiazocine with MolForge

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

Launch Full Analysis

Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
Dibenz[b,f]azocine
CID 23633137
Dibenzo[b,f][1,4]diazocine
CID 11969075
2,4,8,10-Tetrabromobenzo[c][1,5]benzodiazocine
CID 91369369
Dibenzo[1,4]diazocine
CID 132427026
2,4,8,10-Tetrabromodibenzo[b,f][1,5]diazocine
CID 137178508
5-Bromo-2,3-dihydroquinoline
CID 22042156
(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
CID 23633136
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
7-bromo-2H-quinoxalin-2-ide;propane;yttrium
CID 58547559
2-Bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123689820
2,8-dibromo-10,11-dihydro-9H-benzo[d][1]benzazepine
CID 140109153

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromobenzo[c][1,5]benzodiazocine?
The IUPAC name of 2,8-dibromobenzo[c][1,5]benzodiazocine (CID 102228628) is 2,8-dibromobenzo[c][1,5]benzodiazocine.
What is the SMILES notation for 2,8-dibromobenzo[c][1,5]benzodiazocine?
The canonical SMILES for 2,8-dibromobenzo[c][1,5]benzodiazocine is Brc1cc/c2c(c1)=C/N=c1/ccc(Br)cc1=C/N=2.
What is the InChIKey of 2,8-dibromobenzo[c][1,5]benzodiazocine?
The InChIKey is XJGPSHJOHQHABZ-GVPPPSKTSA-N. The full InChI is InChI=1S/C14H8Br2N2/c15-11-1-3-13-9(5-11)7-18-14-4-2-12(16)6-10(14)8-17-13/h1-8H/b9-7?,10-8?,17-8?,17-13-,18-7?,18-14-.
What are the key properties of 2,8-dibromobenzo[c][1,5]benzodiazocine?
2,8-dibromobenzo[c][1,5]benzodiazocine has a molecular weight of 364.04 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromobenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 102228628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).