4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine

C29H19NS — CID 166574154

IUPAC4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
SMILESc1ccc(-c2ccnc(-c3ccc4sc5cc(-c6ccccc6)ccc5c4c3)c2)cc1
InChIInChI=1S/C29H19NS/c1-3-7-20(8-4-1)22-11-13-25-26-17-24(12-14-28(26)31-29(25)19-22)27-18-23(15-16-30-27)21-9-5-2-6-10-21/h1-19H
InChIKeyOPJSUUMGBKIJLF-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.45
Rot. Bonds3

About 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine

4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine (PubChem CID 166574154) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
PubChem CID166574154
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
SMILESc1ccc(-c2ccnc(-c3ccc4sc5cc(-c6ccccc6)ccc5c4c3)c2)cc1
InChIInChI=1S/C29H19NS/c1-3-7-20(8-4-1)22-11-13-25-26-17-24(12-14-28(26)31-29(25)19-22)27-18-23(15-16-30-27)21-9-5-2-6-10-21/h1-19H
InChIKeyOPJSUUMGBKIJLF-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 4-phenyl-2-(7-phenyldibenzothiophen-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-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
4,6-diphenyl-2-[8-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-3-yl]pyrimidine
CID 155328901
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine?
The IUPAC name of 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine (CID 166574154) is 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine.
What is the SMILES notation for 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine?
The canonical SMILES for 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine is c1ccc(-c2ccnc(-c3ccc4sc5cc(-c6ccccc6)ccc5c4c3)c2)cc1.
What is the InChIKey of 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine?
The InChIKey is OPJSUUMGBKIJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-3-7-20(8-4-1)22-11-13-25-26-17-24(12-14-28(26)31-29(25)19-22)27-18-23(15-16-30-27)21-9-5-2-6-10-21/h1-19H.
What are the key properties of 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine?
4-phenyl-2-(7-phenyldibenzothiophen-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 4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine is sourced from PubChem (CID 166574154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).