2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine

C52H28F12N4S4 — CID 139179947

IUPAC2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1
InChIInChI=1S/2C26H14F6N2S2/c2*27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h2*1-14H
InChIKeyKOAVEFDJSZVELL-UHFFFAOYSA-N
MW1065.07 g/mol
LogP18.61
Rot. Bonds8

About 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine (PubChem CID 139179947) has the molecular formula C52H28F12N4S4 and a molecular weight of 1065.07 g/mol. Its IUPAC name is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine.

Molecular Properties

Compound Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
PubChem CID139179947
Molecular FormulaC52H28F12N4S4
Molecular Weight1065.07 g/mol
Exact Mass1064.10
IUPAC Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1
InChIInChI=1S/2C26H14F6N2S2/c2*27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h2*1-14H
InChIKeyKOAVEFDJSZVELL-UHFFFAOYSA-N
XLogP18.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.07
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 145950672
1-Thiophen-3-yl-9-[6-(1-thiophen-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539239
1,2-Bis[2-methyl-5-(2-pyridyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
CID 101338868
2,5-Bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
CID 101376445
4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline
CID 101484664
4-[2-[3-[3,3,4,4,5,5-Hexafluoro-2-[5-phenyl-2-(2-pyridin-4-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]pyridine
CID 102089211
4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(2-methyl-4-pyridinyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-2-methylpyridine
CID 102108113
2-[4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
2-[2-(2,5-Dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethyl-6-pyridin-2-ylpyridine
CID 102497020
Bis(phenanthrolinylthienyl)-hexafluorocyclopentene
CID 129856472
1,2-Bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene
CID 139185087
4-(4-Thiophen-3-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 176424473

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine (CID 139179947) is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine.
What is the SMILES notation for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The canonical SMILES for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine is FC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The InChIKey is KOAVEFDJSZVELL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H14F6N2S2/c2*27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h2*1-14H.
What are the key properties of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine has a molecular weight of 1065.07 g/mol, XLogP of 18.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine is sourced from PubChem (CID 139179947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).