1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole

C22H17N3S — CID 57414670

IUPAC1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole
SMILESCC(c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H17N3S/c1-15(25-14-20(23-24-25)16-7-3-2-4-8-16)17-11-12-22-19(13-17)18-9-5-6-10-21(18)26-22/h2-15H,1H3
InChIKeyVXFRIVMISAHKLG-UHFFFAOYSA-N
MW355.47 g/mol
LogP5.92
Rot. Bonds3

About 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole

1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole (PubChem CID 57414670) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole
PubChem CID57414670
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole
SMILESCC(c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H17N3S/c1-15(25-14-20(23-24-25)16-7-3-2-4-8-16)17-11-12-22-19(13-17)18-9-5-6-10-21(18)26-22/h2-15H,1H3
InChIKeyVXFRIVMISAHKLG-UHFFFAOYSA-N
XLogP5.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[4-(1-benzothiophen-5-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943856
4-[4-(4-Dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162675659
1-(1-Dibenzothiophen-2-ylethyl)-4-propyl-triazole
CID 57414671
4-Butyl-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 57414672
1-(1-Dibenzothiophen-2-ylethyl)-4-hexyl-triazole
CID 57414673
4-(4-Tert-butylphenyl)-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 57414797
1-(1-Dibenzothiophen-2-ylethyl)-4-(p-tolyl)triazole
CID 57414798
1-(1-Dibenzothiophen-2-ylethyl)-4-phenethyl-triazole
CID 57414799
1-(1-Dibenzothiophen-2-ylethyl)-4-(4-nitrophenyl)triazole
CID 57414800
1-(1-Dibenzothiophen-2-ylethyl)-4-(2-nitrophenyl)triazole
CID 57414911
1-(1-Dibenzothiophen-2-ylethyl)-4-(2,4-dichlorophenyl)triazole
CID 57414914
4-(2-Chloro-4-fluoro-phenyl)-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 57414915

Frequently Asked Questions

What is the IUPAC name of 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole?
The IUPAC name of 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole (CID 57414670) is 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole.
What is the SMILES notation for 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole?
The canonical SMILES for 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole is CC(c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole?
The InChIKey is VXFRIVMISAHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3S/c1-15(25-14-20(23-24-25)16-7-3-2-4-8-16)17-11-12-22-19(13-17)18-9-5-6-10-21(18)26-22/h2-15H,1H3.
What are the key properties of 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole?
1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole has a molecular weight of 355.47 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dibenzothiophen-2-ylethyl)-4-phenyltriazole is sourced from PubChem (CID 57414670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).