5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole

C18H14N2Se — CID 15402125

IUPAC5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole
SMILESC1=C(c2ccccc2)CC(c2ccccc2)c2[se]nnc21
InChIInChI=1S/C18H14N2Se/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/h1-10,12,16H,11H2
InChIKeyDFPVUZCMHMLKAO-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.61
Rot. Bonds2

About 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole

5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole (PubChem CID 15402125) has the molecular formula C18H14N2Se and a molecular weight of 337.28 g/mol. Its IUPAC name is 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole.

Molecular Properties

Compound Name5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole
PubChem CID15402125
Molecular FormulaC18H14N2Se
Molecular Weight337.28 g/mol
Exact Mass338.03
IUPAC Name5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole
SMILESC1=C(c2ccccc2)CC(c2ccccc2)c2[se]nnc21
InChIInChI=1S/C18H14N2Se/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/h1-10,12,16H,11H2
InChIKeyDFPVUZCMHMLKAO-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[(R)-phenyl-(4-phenylselenadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole
CID 56678503
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
4,5-Bis(4-tert-butylphenyl)selenadiazole
CID 134881671
4-(4-Tert-butylphenyl)-5-phenylselenadiazole
CID 134881695
5,5-Diphenyl-2,4-dihydrobenzotriazole
CID 57304835
4-Phenyl-3-(3-phenylpropyl)-1,2-selenazole
CID 141036767
4,5-Bis(4-methylphenyl)selenadiazole
CID 151578564
3-Methyl-4,5-diphenyl-1,2-selenazole
CID 153406880
4,5-Diphenyl-3-propyl-1,2-selenazole
CID 153406895
3-Benzyl-4,5-diphenyl-1,2-selenazole
CID 153406930
4,5-Diphenyl-3-(3-phenylpropyl)-1,2-selenazole
CID 153406971
4-benzhydryl-5-methyl-2H-triazole
CID 173566254

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole?
The IUPAC name of 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole (CID 15402125) is 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole.
What is the SMILES notation for 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole?
The canonical SMILES for 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole is C1=C(c2ccccc2)CC(c2ccccc2)c2[se]nnc21.
What is the InChIKey of 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole?
The InChIKey is DFPVUZCMHMLKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2Se/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/h1-10,12,16H,11H2.
What are the key properties of 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole?
5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole has a molecular weight of 337.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-6,7-dihydro-1,2,3-benzoselenadiazole is sourced from PubChem (CID 15402125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).