5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline

C28H14Br2F2N2S2 — CID 58500708

IUPAC5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H14Br2F2N2S2/c29-23-13-11-21(35-23)19-9-10-20(22-12-14-24(30)36-22)28-27(19)33-25(15-1-5-17(31)6-2-15)26(34-28)16-3-7-18(32)8-4-16/h1-14H
InChIKeyDSCNWZAFALNPAA-UHFFFAOYSA-N
MW640.37 g/mol
LogP10.22
Rot. Bonds4

About 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline

5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline (PubChem CID 58500708) has the molecular formula C28H14Br2F2N2S2 and a molecular weight of 640.37 g/mol. Its IUPAC name is 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline
PubChem CID58500708
Molecular FormulaC28H14Br2F2N2S2
Molecular Weight640.37 g/mol
Exact Mass637.89
IUPAC Name5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H14Br2F2N2S2/c29-23-13-11-21(35-23)19-9-10-20(22-12-14-24(30)36-22)28-27(19)33-25(15-1-5-17(31)6-2-15)26(34-28)16-3-7-18(32)8-4-16/h1-14H
InChIKeyDSCNWZAFALNPAA-UHFFFAOYSA-N
XLogP10.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.37
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Bis(5-bromo2-thienyl)quinoxaline
CID 129880603
5,7-Bis(5-bromothiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
CID 58273752
5,8-Dithien-2-yl-2,3-diphenylquinoxaline
CID 58273761
2,3-Dimethyl-5,8-dithien-2-ylquinoxaline
CID 58500697
2,3-Didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
CID 58090514
6,7-Difluoro-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500493
5-(4,5-Dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline
CID 58500542
2,3-Bis(4-fluorophenyl)-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500590
5-[5-[5,5-Bis(2-ethylhexyl)-7-methylbenzo[b][1]benzosilol-3-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500593
5-[5-(5,5-Dihexyl-7-methylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500620
2,3-Bis(4-fluorophenyl)-5,8-dithiophen-2-ylquinoxaline
CID 58500688
5-[5-(5,5-Dihexyl-7-methylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-6,7-difluoro-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500707

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline?
The IUPAC name of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline (CID 58500708) is 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline?
The canonical SMILES for 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3c(-c4ccc(Br)s4)ccc(-c4ccc(Br)s4)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline?
The InChIKey is DSCNWZAFALNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14Br2F2N2S2/c29-23-13-11-21(35-23)19-9-10-20(22-12-14-24(30)36-22)28-27(19)33-25(15-1-5-17(31)6-2-15)26(34-28)16-3-7-18(32)8-4-16/h1-14H.
What are the key properties of 5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline?
5,8-bis(5-bromothiophen-2-yl)-2,3-bis(4-fluorophenyl)quinoxaline has a molecular weight of 640.37 g/mol, XLogP of 10.22, 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-fluorophenyl)quinoxaline is sourced from PubChem (CID 58500708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).