1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole

C24H21N3S — CID 57414799

IUPAC1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole
SMILESCC(c1ccc2sc3ccccc3c2c1)n1cc(CCc2ccccc2)nn1
InChIInChI=1S/C24H21N3S/c1-17(27-16-20(25-26-27)13-11-18-7-3-2-4-8-18)19-12-14-24-22(15-19)21-9-5-6-10-23(21)28-24/h2-10,12,14-17H,11,13H2,1H3
InChIKeyGPSMJKARYJOLMT-UHFFFAOYSA-N
MW383.52 g/mol
LogP6.04
Rot. Bonds5

About 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole

1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole (PubChem CID 57414799) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole.

Molecular Properties

Compound Name1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole
PubChem CID57414799
Molecular FormulaC24H21N3S
Molecular Weight383.52 g/mol
Exact Mass383.15
IUPAC Name1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole
SMILESCC(c1ccc2sc3ccccc3c2c1)n1cc(CCc2ccccc2)nn1
InChIInChI=1S/C24H21N3S/c1-17(27-16-20(25-26-27)13-11-18-7-3-2-4-8-18)19-12-14-24-22(15-19)21-9-5-6-10-23(21)28-24/h2-10,12,14-17H,11,13H2,1H3
InChIKeyGPSMJKARYJOLMT-UHFFFAOYSA-N
XLogP6.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-phenyl-triazole
CID 57414670
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-(Benzyloxymethyl)-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 57414675
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole?
The IUPAC name of 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole (CID 57414799) is 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole.
What is the SMILES notation for 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole?
The canonical SMILES for 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole is CC(c1ccc2sc3ccccc3c2c1)n1cc(CCc2ccccc2)nn1.
What is the InChIKey of 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole?
The InChIKey is GPSMJKARYJOLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-17(27-16-20(25-26-27)13-11-18-7-3-2-4-8-18)19-12-14-24-22(15-19)21-9-5-6-10-23(21)28-24/h2-10,12,14-17H,11,13H2,1H3.
What are the key properties of 1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole?
1-(1-dibenzothiophen-2-ylethyl)-4-(2-phenylethyl)triazole has a molecular weight of 383.52 g/mol, XLogP of 6.04, 5 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-(2-phenylethyl)triazole is sourced from PubChem (CID 57414799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).