2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine

C36H24F3NS — CID 170294144

IUPAC2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCCc1cc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H24F3NS/c1-2-22-16-27(20-29(17-22)36(37,38)39)25-13-11-23-10-12-24(18-28(23)19-25)26-14-15-33(40-21-26)32-8-5-7-31-30-6-3-4-9-34(30)41-35(31)32/h3-21H,2H2,1H3
InChIKeyCSQMKJZLBCRDGO-UHFFFAOYSA-N
MW559.66 g/mol
LogP11.18
Rot. Bonds4

About 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine

2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (PubChem CID 170294144) has the molecular formula C36H24F3NS and a molecular weight of 559.66 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
PubChem CID170294144
Molecular FormulaC36H24F3NS
Molecular Weight559.66 g/mol
Exact Mass559.16
IUPAC Name2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCCc1cc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H24F3NS/c1-2-22-16-27(20-29(17-22)36(37,38)39)25-13-11-23-10-12-24(18-28(23)19-25)26-14-15-33(40-21-26)32-8-5-7-31-30-6-3-4-9-34(30)41-35(31)32/h3-21H,2H2,1H3
InChIKeyCSQMKJZLBCRDGO-UHFFFAOYSA-N
XLogP11.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.66
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294100
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
8-[4-[7-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 170294498
4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
CID 159306062
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
CID 162708578

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (CID 170294144) is 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is CCc1cc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The InChIKey is CSQMKJZLBCRDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F3NS/c1-2-22-16-27(20-29(17-22)36(37,38)39)25-13-11-23-10-12-24(18-28(23)19-25)26-14-15-33(40-21-26)32-8-5-7-31-30-6-3-4-9-34(30)41-35(31)32/h3-21H,2H2,1H3.
What are the key properties of 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine has a molecular weight of 559.66 g/mol, XLogP of 11.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 170294144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).