5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile

C26H20N2S — CID 170252290

IUPAC5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile
SMILESCS1(C)c2cc(C#N)ccc2-c2c(-c3ccccc3)ccc(-c3ccccn3)c21
InChIInChI=1S/C26H20N2S/c1-29(2)24-16-18(17-27)11-12-22(24)25-20(19-8-4-3-5-9-19)13-14-21(26(25)29)23-10-6-7-15-28-23/h3-16H,1-2H3
InChIKeyUYWBZLCBAUAPPU-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.75
Rot. Bonds2

About 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile

5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile (PubChem CID 170252290) has the molecular formula C26H20N2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile
PubChem CID170252290
Molecular FormulaC26H20N2S
Molecular Weight392.53 g/mol
Exact Mass392.13
IUPAC Name5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile
SMILESCS1(C)c2cc(C#N)ccc2-c2c(-c3ccccc3)ccc(-c3ccccn3)c21
InChIInChI=1S/C26H20N2S/c1-29(2)24-16-18(17-27)11-12-22(24)25-20(19-8-4-3-5-9-19)13-14-21(26(25)29)23-10-6-7-15-28-23/h3-16H,1-2H3
InChIKeyUYWBZLCBAUAPPU-UHFFFAOYSA-N
XLogP6.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile?
The IUPAC name of 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile (CID 170252290) is 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile.
What is the SMILES notation for 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile?
The canonical SMILES for 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile is CS1(C)c2cc(C#N)ccc2-c2c(-c3ccccc3)ccc(-c3ccccn3)c21.
What is the InChIKey of 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile?
The InChIKey is UYWBZLCBAUAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2S/c1-29(2)24-16-18(17-27)11-12-22(24)25-20(19-8-4-3-5-9-19)13-14-21(26(25)29)23-10-6-7-15-28-23/h3-16H,1-2H3.
What are the key properties of 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile?
5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile has a molecular weight of 392.53 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile is sourced from PubChem (CID 170252290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).