5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one

C18H14N2OSe — CID 10784245

IUPAC5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one
SMILESO=C1C(c2ccccc2)Cc2nn[se]c2C1c1ccccc1
InChIInChI=1S/C18H14N2OSe/c21-17-14(12-7-3-1-4-8-12)11-15-18(22-20-19-15)16(17)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyYZBOXVPCVLEUKJ-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.57
Rot. Bonds2

About 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one

5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one (PubChem CID 10784245) has the molecular formula C18H14N2OSe and a molecular weight of 353.28 g/mol. Its IUPAC name is 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one.

Molecular Properties

Compound Name5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one
PubChem CID10784245
Molecular FormulaC18H14N2OSe
Molecular Weight353.28 g/mol
Exact Mass354.03
IUPAC Name5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one
SMILESO=C1C(c2ccccc2)Cc2nn[se]c2C1c1ccccc1
InChIInChI=1S/C18H14N2OSe/c21-17-14(12-7-3-1-4-8-12)11-15-18(22-20-19-15)16(17)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyYZBOXVPCVLEUKJ-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one?
The IUPAC name of 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one (CID 10784245) is 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one.
What is the SMILES notation for 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one?
The canonical SMILES for 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one is O=C1C(c2ccccc2)Cc2nn[se]c2C1c1ccccc1.
What is the InChIKey of 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one?
The InChIKey is YZBOXVPCVLEUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OSe/c21-17-14(12-7-3-1-4-8-12)11-15-18(22-20-19-15)16(17)13-9-5-2-6-10-13/h1-10,14,16H,11H2.
What are the key properties of 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one?
5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one has a molecular weight of 353.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-5,7-dihydro-4H-1,2,3-benzoselenadiazol-6-one is sourced from PubChem (CID 10784245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).