4,5-diphenylselenadiazole

C14H10N2Se — CID 11161930

IUPAC4,5-diphenylselenadiazole
SMILESc1ccc(-c2nn[se]c2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(17-16-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyXCDVPRVPYCYVKF-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.87
Rot. Bonds2

About 4,5-diphenylselenadiazole

4,5-diphenylselenadiazole (PubChem CID 11161930) has the molecular formula C14H10N2Se and a molecular weight of 285.21 g/mol. Its IUPAC name is 4,5-diphenylselenadiazole.

Molecular Properties

Compound Name4,5-diphenylselenadiazole
PubChem CID11161930
Molecular FormulaC14H10N2Se
Molecular Weight285.21 g/mol
Exact Mass286.00
IUPAC Name4,5-diphenylselenadiazole
SMILESc1ccc(-c2nn[se]c2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(17-16-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyXCDVPRVPYCYVKF-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.87
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

4,5-Diphenyl-1,2,3-thiadiazole
CID 220169
4,5-Diphenyl-1,2,3-triazole
CID 613500
1,2,3-Selenadiazole, 4-phenyl-
CID 141232
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
4,5-Dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011112
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
4-(4-Fluorophenyl)-1,2,3-selenadiazole
CID 4415272
2,4,5-Triphenyl-1,2,3-triazol
CID 561195
3-Phenyl-1,2-benzoisoselenazole
CID 621129
2-Methyl-4,5-diphenyltriazole
CID 12207436
4-phenyl-5-[3-(trifluoromethyl)phenyl]-2H-triazole
CID 153831717

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylselenadiazole?
The IUPAC name of 4,5-diphenylselenadiazole (CID 11161930) is 4,5-diphenylselenadiazole.
What is the SMILES notation for 4,5-diphenylselenadiazole?
The canonical SMILES for 4,5-diphenylselenadiazole is c1ccc(-c2nn[se]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenylselenadiazole?
The InChIKey is XCDVPRVPYCYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(17-16-15-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,5-diphenylselenadiazole?
4,5-diphenylselenadiazole has a molecular weight of 285.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylselenadiazole is sourced from PubChem (CID 11161930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).