4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine

C35H22N6S — CID 162675659

IUPAC4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc6sc7ccccc7c6c5)nn4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C35H22N6S/c1-2-10-34-27(7-1)28-19-24(13-16-35(28)42-34)33-22-41(40-39-33)26-14-11-23(12-15-26)25-20-31(29-8-3-5-17-36-29)38-32(21-25)30-9-4-6-18-37-30/h1-22H
InChIKeyMZIMNEBLUHISGD-UHFFFAOYSA-N
MW558.67 g/mol
LogP8.49
Rot. Bonds5

About 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 162675659) has the molecular formula C35H22N6S and a molecular weight of 558.67 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID162675659
Molecular FormulaC35H22N6S
Molecular Weight558.67 g/mol
Exact Mass558.16
IUPAC Name4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc6sc7ccccc7c6c5)nn4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C35H22N6S/c1-2-10-34-27(7-1)28-19-24(13-16-35(28)42-34)33-22-41(40-39-33)26-14-11-23(12-15-26)25-20-31(29-8-3-5-17-36-29)38-32(21-25)30-9-4-6-18-37-30/h1-22H
InChIKeyMZIMNEBLUHISGD-UHFFFAOYSA-N
XLogP8.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine 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
2,6-Dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
CID 162673613
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-(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-(2,5-difluorophenyl)triazole
CID 57415150
1-(1-Dibenzothiophen-2-ylethyl)-4-(9-phenanthryl)triazole
CID 57414912

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 162675659) is 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc6sc7ccccc7c6c5)nn4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is MZIMNEBLUHISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6S/c1-2-10-34-27(7-1)28-19-24(13-16-35(28)42-34)33-22-41(40-39-33)26-14-11-23(12-15-26)25-20-31(29-8-3-5-17-36-29)38-32(21-25)30-9-4-6-18-37-30/h1-22H.
What are the key properties of 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 558.67 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzothiophen-2-yltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 162675659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).