2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine

C38H26N2S — CID 143438490

IUPAC2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine
SMILESc1ccc(C2=C(c3ccccn3)S3(C(c4ccccn4)=C2c2ccccc2)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C38H26N2S/c1-3-15-27(16-4-1)35-36(28-17-5-2-6-18-28)38(32-22-12-14-26-40-32)41(37(35)31-21-11-13-25-39-31)33-23-9-7-19-29(33)30-20-8-10-24-34(30)41/h1-26H
InChIKeyFQKWXJPKWGICNU-UHFFFAOYSA-N
MW542.71 g/mol
LogP9.83
Rot. Bonds4

About 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine

2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine (PubChem CID 143438490) has the molecular formula C38H26N2S and a molecular weight of 542.71 g/mol. Its IUPAC name is 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine.

Molecular Properties

Compound Name2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine
PubChem CID143438490
Molecular FormulaC38H26N2S
Molecular Weight542.71 g/mol
Exact Mass542.18
IUPAC Name2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine
SMILESc1ccc(C2=C(c3ccccn3)S3(C(c4ccccn4)=C2c2ccccc2)c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C38H26N2S/c1-3-15-27(16-4-1)35-36(28-17-5-2-6-18-28)38(32-22-12-14-26-40-32)41(37(35)31-21-11-13-25-39-31)33-23-9-7-19-29(33)30-20-8-10-24-34(30)41/h1-26H
InChIKeyFQKWXJPKWGICNU-UHFFFAOYSA-N
XLogP9.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine 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

hydrazine;2-phenylpyridine
CID 158673997
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide
CID 125491611
4-phenyl-2-pyridin-2-yl-1,3-oxazole
CID 18515932
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
CID 135057697
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine?
The IUPAC name of 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine (CID 143438490) is 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine.
What is the SMILES notation for 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine?
The canonical SMILES for 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine is c1ccc(C2=C(c3ccccn3)S3(C(c4ccccn4)=C2c2ccccc2)c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine?
The InChIKey is FQKWXJPKWGICNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2S/c1-3-15-27(16-4-1)35-36(28-17-5-2-6-18-28)38(32-22-12-14-26-40-32)41(37(35)31-21-11-13-25-39-31)33-23-9-7-19-29(33)30-20-8-10-24-34(30)41/h1-26H.
What are the key properties of 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine?
2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine has a molecular weight of 542.71 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',4'-diphenyl-5'-pyridin-2-ylspiro[dibenzothiophene-5,1'-thiophene]-2'-yl)pyridine is sourced from PubChem (CID 143438490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).