bis(3,5-dibromophenyl)diazene

C12H6Br4N2 — CID 134996202

IUPACbis(3,5-dibromophenyl)diazene
SMILESBrc1cc(Br)cc(/N=N/c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C12H6Br4N2/c13-7-1-8(14)4-11(3-7)17-18-12-5-9(15)2-10(16)6-12/h1-6H/b18-17+
InChIKeyBNXMFNRPJQPSHW-ISLYRVAYSA-N
MW497.81 g/mol
LogP7.15
Rot. Bonds2

About bis(3,5-dibromophenyl)diazene

bis(3,5-dibromophenyl)diazene (PubChem CID 134996202) has the molecular formula C12H6Br4N2 and a molecular weight of 497.81 g/mol. Its IUPAC name is bis(3,5-dibromophenyl)diazene.

Molecular Properties

Compound Namebis(3,5-dibromophenyl)diazene
PubChem CID134996202
Molecular FormulaC12H6Br4N2
Molecular Weight497.81 g/mol
Exact Mass493.73
IUPAC Namebis(3,5-dibromophenyl)diazene
SMILESBrc1cc(Br)cc(/N=N/c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C12H6Br4N2/c13-7-1-8(14)4-11(3-7)17-18-12-5-9(15)2-10(16)6-12/h1-6H/b18-17+
InChIKeyBNXMFNRPJQPSHW-ISLYRVAYSA-N
XLogP7.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dibromophenyl)diazene?
The IUPAC name of bis(3,5-dibromophenyl)diazene (CID 134996202) is bis(3,5-dibromophenyl)diazene.
What is the SMILES notation for bis(3,5-dibromophenyl)diazene?
The canonical SMILES for bis(3,5-dibromophenyl)diazene is Brc1cc(Br)cc(/N=N/c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of bis(3,5-dibromophenyl)diazene?
The InChIKey is BNXMFNRPJQPSHW-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H6Br4N2/c13-7-1-8(14)4-11(3-7)17-18-12-5-9(15)2-10(16)6-12/h1-6H/b18-17+.
What are the key properties of bis(3,5-dibromophenyl)diazene?
bis(3,5-dibromophenyl)diazene has a molecular weight of 497.81 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dibromophenyl)diazene is sourced from PubChem (CID 134996202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).