4-phenyl-3-(3-phenylpropyl)-1,2-selenazole

C18H17NSe — CID 141036767

IUPAC4-phenyl-3-(3-phenylpropyl)-1,2-selenazole
SMILESc1ccc(CCCc2n[se]cc2-c2ccccc2)cc1
InChIInChI=1S/C18H17NSe/c1-3-8-15(9-4-1)10-7-13-18-17(14-20-19-18)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2
InChIKeyLHTJIIFIWASHPJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.98
Rot. Bonds5

About 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole

4-phenyl-3-(3-phenylpropyl)-1,2-selenazole (PubChem CID 141036767) has the molecular formula C18H17NSe and a molecular weight of 326.30 g/mol. Its IUPAC name is 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole.

Molecular Properties

Compound Name4-phenyl-3-(3-phenylpropyl)-1,2-selenazole
PubChem CID141036767
Molecular FormulaC18H17NSe
Molecular Weight326.30 g/mol
Exact Mass327.05
IUPAC Name4-phenyl-3-(3-phenylpropyl)-1,2-selenazole
SMILESc1ccc(CCCc2n[se]cc2-c2ccccc2)cc1
InChIInChI=1S/C18H17NSe/c1-3-8-15(9-4-1)10-7-13-18-17(14-20-19-18)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2
InChIKeyLHTJIIFIWASHPJ-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.98
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

3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole?
The IUPAC name of 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole (CID 141036767) is 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole.
What is the SMILES notation for 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole?
The canonical SMILES for 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole is c1ccc(CCCc2n[se]cc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole?
The InChIKey is LHTJIIFIWASHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NSe/c1-3-8-15(9-4-1)10-7-13-18-17(14-20-19-18)16-11-5-2-6-12-16/h1-6,8-9,11-12,14H,7,10,13H2.
What are the key properties of 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole?
4-phenyl-3-(3-phenylpropyl)-1,2-selenazole has a molecular weight of 326.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3-phenylpropyl)-1,2-selenazole is sourced from PubChem (CID 141036767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).