5,7-diphenyl-1,2,3-benzoselenadiazole

C18H12N2Se — CID 15402126

IUPAC5,7-diphenyl-1,2,3-benzoselenadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3[se]nnc3c2)cc1
InChIInChI=1S/C18H12N2Se/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)18-17(12-15)19-20-21-18/h1-12H
InChIKeyULOBMPXMOQHBFE-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.02
Rot. Bonds2

About 5,7-diphenyl-1,2,3-benzoselenadiazole

5,7-diphenyl-1,2,3-benzoselenadiazole (PubChem CID 15402126) has the molecular formula C18H12N2Se and a molecular weight of 335.27 g/mol. Its IUPAC name is 5,7-diphenyl-1,2,3-benzoselenadiazole.

Molecular Properties

Compound Name5,7-diphenyl-1,2,3-benzoselenadiazole
PubChem CID15402126
Molecular FormulaC18H12N2Se
Molecular Weight335.27 g/mol
Exact Mass336.02
IUPAC Name5,7-diphenyl-1,2,3-benzoselenadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3[se]nnc3c2)cc1
InChIInChI=1S/C18H12N2Se/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)18-17(12-15)19-20-21-18/h1-12H
InChIKeyULOBMPXMOQHBFE-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.02
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 5,7-diphenyl-1,2,3-benzoselenadiazole?
The IUPAC name of 5,7-diphenyl-1,2,3-benzoselenadiazole (CID 15402126) is 5,7-diphenyl-1,2,3-benzoselenadiazole.
What is the SMILES notation for 5,7-diphenyl-1,2,3-benzoselenadiazole?
The canonical SMILES for 5,7-diphenyl-1,2,3-benzoselenadiazole is c1ccc(-c2cc(-c3ccccc3)c3[se]nnc3c2)cc1.
What is the InChIKey of 5,7-diphenyl-1,2,3-benzoselenadiazole?
The InChIKey is ULOBMPXMOQHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2Se/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)18-17(12-15)19-20-21-18/h1-12H.
What are the key properties of 5,7-diphenyl-1,2,3-benzoselenadiazole?
5,7-diphenyl-1,2,3-benzoselenadiazole has a molecular weight of 335.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-1,2,3-benzoselenadiazole is sourced from PubChem (CID 15402126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).