5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline

C30H14Br2F6N2S2 — CID 88981099

IUPAC5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C30H14Br2F6N2S2/c31-23-11-9-21(41-23)19-7-8-20(22-10-12-24(32)42-22)28-27(19)39-25(15-3-1-5-17(13-15)29(33,34)35)26(40-28)16-4-2-6-18(14-16)30(36,37)38/h1-14H
InChIKeyDKUMSNBWCJTZMY-UHFFFAOYSA-N
MW740.39 g/mol
LogP11.98
Rot. Bonds4

About 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline

5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 88981099) has the molecular formula C30H14Br2F6N2S2 and a molecular weight of 740.39 g/mol. Its IUPAC name is 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline
PubChem CID88981099
Molecular FormulaC30H14Br2F6N2S2
Molecular Weight740.39 g/mol
Exact Mass737.89
IUPAC Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C30H14Br2F6N2S2/c31-23-11-9-21(41-23)19-7-8-20(22-10-12-24(32)42-22)28-27(19)39-25(15-3-1-5-17(13-15)29(33,34)35)26(40-28)16-4-2-6-18(14-16)30(36,37)38/h1-14H
InChIKeyDKUMSNBWCJTZMY-UHFFFAOYSA-N
XLogP11.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.39
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
6-methyl-2-(6-methyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 163857045
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
CID 101376433
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline (CID 88981099) is 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1cccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is DKUMSNBWCJTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14Br2F6N2S2/c31-23-11-9-21(41-23)19-7-8-20(22-10-12-24(32)42-22)28-27(19)39-25(15-3-1-5-17(13-15)29(33,34)35)26(40-28)16-4-2-6-18(14-16)30(36,37)38/h1-14H.
What are the key properties of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline?
5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 740.39 g/mol, XLogP of 11.98, 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-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 88981099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).