2,3-benzodiselenine

C8H6Se2 — CID 135082929

IUPAC2,3-benzodiselenine
SMILESC1=c2ccccc2=C[Se][Se]1
InChIInChI=1S/C8H6Se2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKeyZWFRBRCOURUYSS-UHFFFAOYSA-N
MW260.06 g/mol
LogP-0.50
Rot. Bonds

About 2,3-benzodiselenine

2,3-benzodiselenine (PubChem CID 135082929) has the molecular formula C8H6Se2 and a molecular weight of 260.06 g/mol. Its IUPAC name is 2,3-benzodiselenine.

Molecular Properties

Compound Name2,3-benzodiselenine
PubChem CID135082929
Molecular FormulaC8H6Se2
Molecular Weight260.06 g/mol
Exact Mass261.88
IUPAC Name2,3-benzodiselenine
SMILESC1=c2ccccc2=C[Se][Se]1
InChIInChI=1S/C8H6Se2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKeyZWFRBRCOURUYSS-UHFFFAOYSA-N
XLogP-0.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-benzodiselenine?
The IUPAC name of 2,3-benzodiselenine (CID 135082929) is 2,3-benzodiselenine.
What is the SMILES notation for 2,3-benzodiselenine?
The canonical SMILES for 2,3-benzodiselenine is C1=c2ccccc2=C[Se][Se]1.
What is the InChIKey of 2,3-benzodiselenine?
The InChIKey is ZWFRBRCOURUYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Se2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H.
What are the key properties of 2,3-benzodiselenine?
2,3-benzodiselenine has a molecular weight of 260.06 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-benzodiselenine is sourced from PubChem (CID 135082929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).