2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole

C38H22N2OS2 — CID 70332107

IUPAC2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2nnc(-c3ccccc3-c3cccc4c3sc3ccccc34)o2)c1
InChIInChI=1S/C38H22N2OS2/c1-3-15-31(23(11-1)27-17-9-19-29-25-13-5-7-21-33(25)42-35(27)29)37-39-40-38(41-37)32-16-4-2-12-24(32)28-18-10-20-30-26-14-6-8-22-34(26)43-36(28)30/h1-22H
InChIKeyZWPGWCSMAADBQC-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.47
Rot. Bonds4

About 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole

2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole (PubChem CID 70332107) has the molecular formula C38H22N2OS2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
PubChem CID70332107
Molecular FormulaC38H22N2OS2
Molecular Weight586.74 g/mol
Exact Mass586.12
IUPAC Name2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2nnc(-c3ccccc3-c3cccc4c3sc3ccccc34)o2)c1
InChIInChI=1S/C38H22N2OS2/c1-3-15-31(23(11-1)27-17-9-19-29-25-13-5-7-21-33(25)42-35(27)29)37-39-40-38(41-37)32-16-4-2-12-24(32)28-18-10-20-30-26-14-6-8-22-34(26)43-36(28)30/h1-22H
InChIKeyZWPGWCSMAADBQC-UHFFFAOYSA-N
XLogP11.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole 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

2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-dibenzothiophen-4-ylaniline
CID 58050240
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518733
10-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858379
4-(2-isocyanophenyl)dibenzothiophene
CID 170460075

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole (CID 70332107) is 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole is c1ccc(-c2cccc3c2sc2ccccc23)c(-c2nnc(-c3ccccc3-c3cccc4c3sc3ccccc34)o2)c1.
What is the InChIKey of 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZWPGWCSMAADBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2OS2/c1-3-15-31(23(11-1)27-17-9-19-29-25-13-5-7-21-33(25)42-35(27)29)37-39-40-38(41-37)32-16-4-2-12-24(32)28-18-10-20-30-26-14-6-8-22-34(26)43-36(28)30/h1-22H.
What are the key properties of 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole?
2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 586.74 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70332107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).