4,5-diphenyl-3-propyl-1,2-selenazole

C18H17NSe — CID 153406895

IUPAC4,5-diphenyl-3-propyl-1,2-selenazole
SMILESCCCc1n[se]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17NSe/c1-2-9-16-17(14-10-5-3-6-11-14)18(20-19-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3
InChIKeyJLWVQZCYHGOYCY-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.43
Rot. Bonds4

About 4,5-diphenyl-3-propyl-1,2-selenazole

4,5-diphenyl-3-propyl-1,2-selenazole (PubChem CID 153406895) has the molecular formula C18H17NSe and a molecular weight of 326.30 g/mol. Its IUPAC name is 4,5-diphenyl-3-propyl-1,2-selenazole.

Molecular Properties

Compound Name4,5-diphenyl-3-propyl-1,2-selenazole
PubChem CID153406895
Molecular FormulaC18H17NSe
Molecular Weight326.30 g/mol
Exact Mass327.05
IUPAC Name4,5-diphenyl-3-propyl-1,2-selenazole
SMILESCCCc1n[se]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17NSe/c1-2-9-16-17(14-10-5-3-6-11-14)18(20-19-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3
InChIKeyJLWVQZCYHGOYCY-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.43
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

3-Phenyl-1,2-benzoisoselenazole
CID 621129
3-Methyl-1,2-benzoselenazole
CID 21826482
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610
3-Ethyl-1,2-benzoselenazole
CID 11127530
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
3-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
CID 153406931
3-(4-Fluorophenyl)-5-phenyl-1,2-selenazole
CID 155679821
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679823
5-(4-Fluorophenyl)-3-phenyl-1,2-selenazole
CID 155679824
5-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679843
3,5-Diphenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493038

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-3-propyl-1,2-selenazole?
The IUPAC name of 4,5-diphenyl-3-propyl-1,2-selenazole (CID 153406895) is 4,5-diphenyl-3-propyl-1,2-selenazole.
What is the SMILES notation for 4,5-diphenyl-3-propyl-1,2-selenazole?
The canonical SMILES for 4,5-diphenyl-3-propyl-1,2-selenazole is CCCc1n[se]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-3-propyl-1,2-selenazole?
The InChIKey is JLWVQZCYHGOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NSe/c1-2-9-16-17(14-10-5-3-6-11-14)18(20-19-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3.
What are the key properties of 4,5-diphenyl-3-propyl-1,2-selenazole?
4,5-diphenyl-3-propyl-1,2-selenazole has a molecular weight of 326.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-3-propyl-1,2-selenazole is sourced from PubChem (CID 153406895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).