5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

C30H14Br2F6N2S2 — CID 88981095

IUPAC5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H14Br2F6N2S2/c31-23-13-11-21(41-23)19-9-10-20(22-12-14-24(32)42-22)28-27(19)39-25(15-1-5-17(6-2-15)29(33,34)35)26(40-28)16-3-7-18(8-4-16)30(36,37)38/h1-14H
InChIKeyBBQDCQAGLAOSEK-UHFFFAOYSA-N
MW740.39 g/mol
LogP11.98
Rot. Bonds4

About 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 88981095) 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[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID88981095
Molecular FormulaC30H14Br2F6N2S2
Molecular Weight740.39 g/mol
Exact Mass737.89
IUPAC Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C30H14Br2F6N2S2/c31-23-13-11-21(41-23)19-9-10-20(22-12-14-24(32)42-22)28-27(19)39-25(15-1-5-17(6-2-15)29(33,34)35)26(40-28)16-3-7-18(8-4-16)30(36,37)38/h1-14H
InChIKeyBBQDCQAGLAOSEK-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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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (CID 88981095) is 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is BBQDCQAGLAOSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14Br2F6N2S2/c31-23-13-11-21(41-23)19-9-10-20(22-12-14-24(32)42-22)28-27(19)39-25(15-1-5-17(6-2-15)29(33,34)35)26(40-28)16-3-7-18(8-4-16)30(36,37)38/h1-14H.
What are the key properties of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
5,8-bis(5-bromothiophen-2-yl)-2,3-bis[4-(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[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 88981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).