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

C36H24F3NS — CID 170294100

IUPAC2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCCc1cc(-c2ccc3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)nc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H24F3NS/c1-2-22-15-28(19-30(16-22)36(37,38)39)25-10-8-23-7-9-24(17-29(23)18-25)27-11-13-33(40-21-27)26-12-14-35-32(20-26)31-5-3-4-6-34(31)41-35/h3-21H,2H2,1H3
InChIKeyKMAKYCVRXFOTQO-UHFFFAOYSA-N
MW559.66 g/mol
LogP11.18
Rot. Bonds4

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

2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (PubChem CID 170294100) has the molecular formula C36H24F3NS and a molecular weight of 559.66 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
PubChem CID170294100
Molecular FormulaC36H24F3NS
Molecular Weight559.66 g/mol
Exact Mass559.16
IUPAC Name2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
SMILESCCc1cc(-c2ccc3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)nc4)cc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H24F3NS/c1-2-22-15-28(19-30(16-22)36(37,38)39)25-10-8-23-7-9-24(17-29(23)18-25)27-11-13-33(40-21-27)26-12-14-35-32(20-26)31-5-3-4-6-34(31)41-35/h3-21H,2H2,1H3
InChIKeyKMAKYCVRXFOTQO-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-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294144
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]dibenzothiophene
CID 171056317
3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293563
8-[4-[7-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 170294498
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
[4-[5-[7-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-2-pyridinyl]phenyl]-trimethylsilane
CID 169294031
2-[6-(3,5-ditert-butylphenyl)anthracen-2-yl]dibenzothiophene
CID 90262322
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The IUPAC name of 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine (CID 170294100) is 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is CCc1cc(-c2ccc3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)nc4)cc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
The InChIKey is KMAKYCVRXFOTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F3NS/c1-2-22-15-28(19-30(16-22)36(37,38)39)25-10-8-23-7-9-24(17-29(23)18-25)27-11-13-33(40-21-27)26-12-14-35-32(20-26)31-5-3-4-6-34(31)41-35/h3-21H,2H2,1H3.
What are the key properties of 2-dibenzothiophen-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine?
2-dibenzothiophen-2-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-2-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 170294100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).