benzo[e][1,2,3]benzoselenadiazole

C10H6N2Se — CID 87118927

IUPACbenzo[e][1,2,3]benzoselenadiazole
SMILESc1ccc2c(c1)ccc1[se]nnc12
InChIInChI=1S/C10H6N2Se/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-6H
InChIKeyJAVXCBRSNIIMDB-UHFFFAOYSA-N
MW233.13 g/mol
LogP1.84
Rot. Bonds

About benzo[e][1,2,3]benzoselenadiazole

benzo[e][1,2,3]benzoselenadiazole (PubChem CID 87118927) has the molecular formula C10H6N2Se and a molecular weight of 233.13 g/mol. Its IUPAC name is benzo[e][1,2,3]benzoselenadiazole.

Molecular Properties

Compound Namebenzo[e][1,2,3]benzoselenadiazole
PubChem CID87118927
Molecular FormulaC10H6N2Se
Molecular Weight233.13 g/mol
Exact Mass233.97
IUPAC Namebenzo[e][1,2,3]benzoselenadiazole
SMILESc1ccc2c(c1)ccc1[se]nnc12
InChIInChI=1S/C10H6N2Se/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-6H
InChIKeyJAVXCBRSNIIMDB-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 benzo[e][1,2,3]benzoselenadiazole?
The IUPAC name of benzo[e][1,2,3]benzoselenadiazole (CID 87118927) is benzo[e][1,2,3]benzoselenadiazole.
What is the SMILES notation for benzo[e][1,2,3]benzoselenadiazole?
The canonical SMILES for benzo[e][1,2,3]benzoselenadiazole is c1ccc2c(c1)ccc1[se]nnc12.
What is the InChIKey of benzo[e][1,2,3]benzoselenadiazole?
The InChIKey is JAVXCBRSNIIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2Se/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-6H.
What are the key properties of benzo[e][1,2,3]benzoselenadiazole?
benzo[e][1,2,3]benzoselenadiazole has a molecular weight of 233.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1,2,3]benzoselenadiazole is sourced from PubChem (CID 87118927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).