2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine

C14H6Br4N2 — CID 91369369

IUPAC2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc(Br)/c2c(c1)=C/N=c1/c(Br)cc(Br)cc1=C/N=2
InChIInChI=1S/C14H6Br4N2/c15-9-1-7-5-19-14-8(2-10(16)4-12(14)18)6-20-13(7)11(17)3-9/h1-6H/b7-5?,8-6?,19-5?,19-14+,20-6?,20-13+
InChIKeyRYXNSTFLCINGTC-CESBCEMGSA-N
MW521.83 g/mol
LogP3.17
Rot. Bonds

About 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine

2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine (PubChem CID 91369369) has the molecular formula C14H6Br4N2 and a molecular weight of 521.83 g/mol. Its IUPAC name is 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine
PubChem CID91369369
Molecular FormulaC14H6Br4N2
Molecular Weight521.83 g/mol
Exact Mass517.73
IUPAC Name2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc(Br)/c2c(c1)=C/N=c1/c(Br)cc(Br)cc1=C/N=2
InChIInChI=1S/C14H6Br4N2/c15-9-1-7-5-19-14-8(2-10(16)4-12(14)18)6-20-13(7)11(17)3-9/h1-6H/b7-5?,8-6?,19-5?,19-14+,20-6?,20-13+
InChIKeyRYXNSTFLCINGTC-CESBCEMGSA-N
XLogP3.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,8,10-Tetrabromodibenzo[b,f][1,5]diazocine
CID 137178508
7-bromo-8H-quinoline
CID 148240260
2,4,5,6-Tetrabromo-1,4-benzodiazepine
CID 175299716
2,8-Dibromobenzo[c][1,5]benzodiazocine
CID 102228628
2-Bromobenzo[c][1,5]benzodiazocine
CID 102228634

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine?
The IUPAC name of 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine (CID 91369369) is 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine.
What is the SMILES notation for 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine?
The canonical SMILES for 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine is Brc1cc(Br)/c2c(c1)=C/N=c1/c(Br)cc(Br)cc1=C/N=2.
What is the InChIKey of 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine?
The InChIKey is RYXNSTFLCINGTC-CESBCEMGSA-N. The full InChI is InChI=1S/C14H6Br4N2/c15-9-1-7-5-19-14-8(2-10(16)4-12(14)18)6-20-13(7)11(17)3-9/h1-6H/b7-5?,8-6?,19-5?,19-14+,20-6?,20-13+.
What are the key properties of 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine?
2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine has a molecular weight of 521.83 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetrabromobenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 91369369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).