3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole

C21H14ClNSe — CID 153406948

IUPAC3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole
SMILESClc1ccc(-c2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClNSe/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)21(24-23-20)17-9-5-2-6-10-17/h1-14H
InChIKeyNAGLZBUCPURERK-UHFFFAOYSA-N
MW394.76 g/mol
LogP5.79
Rot. Bonds3

About 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole

3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole (PubChem CID 153406948) has the molecular formula C21H14ClNSe and a molecular weight of 394.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole
PubChem CID153406948
Molecular FormulaC21H14ClNSe
Molecular Weight394.76 g/mol
Exact Mass395.00
IUPAC Name3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole
SMILESClc1ccc(-c2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClNSe/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)21(24-23-20)17-9-5-2-6-10-17/h1-14H
InChIKeyNAGLZBUCPURERK-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.76
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-Bis(4-chlorophenyl)-1,2-selenazole
CID 24884694
(4S)-4-[(R)-(4-chlorophenyl)-(4-phenylselenadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole
CID 56662752
(4S)-4-[(R)-[4-(4-chlorophenyl)selenadiazol-5-yl]-phenyl-methyl]-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole
CID 56678504
3-(4-Chlorophenyl)-4-phenyl-1,2,5-thiadiazole
CID 11086920
5-(4-Chlorophenyl)-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493045
3,4-Bis(4-chlorophenyl)-1,2,5-thiadiazole
CID 10709840
5-Chloro-2,2,6-triphenyl-1-aza-2lambda5-arsacyclohexa-1,3,5-triene
CID 145807350
4-(4-Chlorophenyl)-5-phenylselenadiazole
CID 150252929
5-(4-Chlorophenyl)-4-phenylselenadiazole
CID 152580220
4,5-Bis(4-chlorophenyl)selenadiazole
CID 153406916
3-[2-(4-Chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole
CID 153406927
3-Benzyl-4,5-diphenyl-1,2-selenazole
CID 153406930

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole?
The IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole (CID 153406948) is 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole?
The canonical SMILES for 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole is Clc1ccc(-c2n[se]c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole?
The InChIKey is NAGLZBUCPURERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNSe/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)21(24-23-20)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole?
3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole has a molecular weight of 394.76 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5-diphenyl-1,2-selenazole is sourced from PubChem (CID 153406948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).