5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine

C28H14F6N2S3 — CID 101437035

IUPAC5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)19-9-11-21(37-19)25-23-24(36-14-13-35-23)26(39-25)22-12-10-20(38-22)16-3-7-18(8-4-16)28(32,33)34/h1-14H
InChIKeyZYKIWVNQEJEBOC-UHFFFAOYSA-N
MW588.62 g/mol
LogP10.52
Rot. Bonds4

About 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine

5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine (PubChem CID 101437035) has the molecular formula C28H14F6N2S3 and a molecular weight of 588.62 g/mol. Its IUPAC name is 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine
PubChem CID101437035
Molecular FormulaC28H14F6N2S3
Molecular Weight588.62 g/mol
Exact Mass588.02
IUPAC Name5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)19-9-11-21(37-19)25-23-24(36-14-13-35-23)26(39-25)22-12-10-20(38-22)16-3-7-18(8-4-16)28(32,33)34/h1-14H
InChIKeyZYKIWVNQEJEBOC-UHFFFAOYSA-N
XLogP10.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.62
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
CID 101376433
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
CID 24760510
2-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]thiophene;[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
CID 158014207
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-phenyl-2,3,4,5-tetrakis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1λ5-phosphole 1-oxide
CID 102315352
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
CID 53441536

Frequently Asked Questions

What is the IUPAC name of 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine?
The IUPAC name of 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine (CID 101437035) is 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine is FC(F)(F)c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1.
What is the InChIKey of 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine?
The InChIKey is ZYKIWVNQEJEBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)19-9-11-21(37-19)25-23-24(36-14-13-35-23)26(39-25)22-12-10-20(38-22)16-3-7-18(8-4-16)28(32,33)34/h1-14H.
What are the key properties of 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine?
5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine has a molecular weight of 588.62 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine is sourced from PubChem (CID 101437035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).