2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine

C29H19NS — CID 175869357

IUPAC2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccn3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)28-23(25-15-8-9-19-30-25)17-18-27-29(28)24-14-6-7-16-26(24)31-27/h1-19H
InChIKeyCSRRDRMNBZEQFT-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.45
Rot. Bonds3

About 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine

2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine (PubChem CID 175869357) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
PubChem CID175869357
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccn3)ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)28-23(25-15-8-9-19-30-25)17-18-27-29(28)24-14-6-7-16-26(24)31-27/h1-19H
InChIKeyCSRRDRMNBZEQFT-UHFFFAOYSA-N
XLogP8.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-phenylphenyl)dibenzothiophen-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

4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
2-(2-bromodibenzothiophen-1-yl)pyridine
CID 162354836
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079454
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079053
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine?
The IUPAC name of 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine (CID 175869357) is 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine.
What is the SMILES notation for 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine?
The canonical SMILES for 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine is c1ccc(-c2ccccc2-c2c(-c3ccccn3)ccc3sc4ccccc4c23)cc1.
What is the InChIKey of 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine?
The InChIKey is CSRRDRMNBZEQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)28-23(25-15-8-9-19-30-25)17-18-27-29(28)24-14-6-7-16-26(24)31-27/h1-19H.
What are the key properties of 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine?
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine has a molecular weight of 413.55 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine is sourced from PubChem (CID 175869357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).