3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine

C35H21F3N2S — CID 171760853

IUPAC3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc2c1sc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12
InChIInChI=1S/C35H21F3N2S/c36-35(37,38)32-14-2-1-9-28(32)29-11-4-13-31-30-12-3-10-27(33(30)41-34(29)31)26-18-24(22-7-5-15-39-20-22)17-25(19-26)23-8-6-16-40-21-23/h1-21H
InChIKeyUFKRLQACPSICOA-UHFFFAOYSA-N
MW558.63 g/mol
LogP10.53
Rot. Bonds4

About 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine

3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine (PubChem CID 171760853) has the molecular formula C35H21F3N2S and a molecular weight of 558.63 g/mol. Its IUPAC name is 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine
PubChem CID171760853
Molecular FormulaC35H21F3N2S
Molecular Weight558.63 g/mol
Exact Mass558.14
IUPAC Name3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc2c1sc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12
InChIInChI=1S/C35H21F3N2S/c36-35(37,38)32-14-2-1-9-28(32)29-11-4-13-31-30-12-3-10-27(33(30)41-34(29)31)26-18-24(22-7-5-15-39-20-22)17-25(19-26)23-8-6-16-40-21-23/h1-21H
InChIKeyUFKRLQACPSICOA-UHFFFAOYSA-N
XLogP10.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[6-[3,5-bis(trifluoromethyl)phenyl]dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610894
3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
CID 171760978
2-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610878
3-[3-[6-(2-isocyanophenyl)dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 171761284
2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 171761000
2-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610775
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
CID 138726343
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
CID 90753067
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
4-[3-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583509

Frequently Asked Questions

What is the IUPAC name of 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine?
The IUPAC name of 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine (CID 171760853) is 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine is FC(F)(F)c1ccccc1-c1cccc2c1sc1c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)cccc12.
What is the InChIKey of 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine?
The InChIKey is UFKRLQACPSICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3N2S/c36-35(37,38)32-14-2-1-9-28(32)29-11-4-13-31-30-12-3-10-27(33(30)41-34(29)31)26-18-24(22-7-5-15-39-20-22)17-25(19-26)23-8-6-16-40-21-23/h1-21H.
What are the key properties of 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine?
3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine has a molecular weight of 558.63 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine is sourced from PubChem (CID 171760853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).