5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline

C30H16F6N2S2 — CID 101376433

IUPAC5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C30H16F6N2S2/c31-29(32,33)19-5-1-17(2-6-19)23-11-13-25(39-23)21-9-10-22(28-27(21)37-15-16-38-28)26-14-12-24(40-26)18-3-7-20(8-4-18)30(34,35)36/h1-16H
InChIKeyXGYDEYVTVVFSBB-UHFFFAOYSA-N
MW582.59 g/mol
LogP10.46
Rot. Bonds4

About 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline

5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline (PubChem CID 101376433) has the molecular formula C30H16F6N2S2 and a molecular weight of 582.59 g/mol. Its IUPAC name is 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline.

Molecular Properties

Compound Name5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
PubChem CID101376433
Molecular FormulaC30H16F6N2S2
Molecular Weight582.59 g/mol
Exact Mass582.07
IUPAC Name5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C30H16F6N2S2/c31-29(32,33)19-5-1-17(2-6-19)23-11-13-25(39-23)21-9-10-22(28-27(21)37-15-16-38-28)26-14-12-24(40-26)18-3-7-20(8-4-18)30(34,35)36/h1-16H
InChIKeyXGYDEYVTVVFSBB-UHFFFAOYSA-N
XLogP10.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thieno[3,4-b]pyrazine
CID 101437035
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
5,8-bis(5-methylthiophen-2-yl)quinoxaline
CID 58982512
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline
CID 88981099
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

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline?
The IUPAC name of 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline (CID 101376433) is 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline.
What is the SMILES notation for 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline?
The canonical SMILES for 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline is FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nccnc34)s2)cc1.
What is the InChIKey of 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline?
The InChIKey is XGYDEYVTVVFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F6N2S2/c31-29(32,33)19-5-1-17(2-6-19)23-11-13-25(39-23)21-9-10-22(28-27(21)37-15-16-38-28)26-14-12-24(40-26)18-3-7-20(8-4-18)30(34,35)36/h1-16H.
What are the key properties of 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline?
5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline has a molecular weight of 582.59 g/mol, XLogP of 10.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline is sourced from PubChem (CID 101376433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).