6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline

C40H22Br4N4 — CID 3106569

IUPAC6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)c(-c6ccc(Br)cc6)nc5c4)cc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C40H22Br4N4/c41-29-11-1-23(2-12-29)37-39(25-5-15-31(43)16-6-25)47-35-21-27(9-19-33(35)45-37)28-10-20-34-36(22-28)48-40(26-7-17-32(44)18-8-26)38(46-34)24-3-13-30(42)14-4-24/h1-22H
InChIKeyALAOEGCDDVDTRK-UHFFFAOYSA-N
MW878.26 g/mol
LogP12.96
Rot. Bonds5

About 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline

6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline (PubChem CID 3106569) has the molecular formula C40H22Br4N4 and a molecular weight of 878.26 g/mol. Its IUPAC name is 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline.

Molecular Properties

Compound Name6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline
PubChem CID3106569
Molecular FormulaC40H22Br4N4
Molecular Weight878.26 g/mol
Exact Mass873.86
IUPAC Name6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)c(-c6ccc(Br)cc6)nc5c4)cc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C40H22Br4N4/c41-29-11-1-23(2-12-29)37-39(25-5-15-31(43)16-6-25)47-35-21-27(9-19-33(35)45-37)28-10-20-34-36(22-28)48-40(26-7-17-32(44)18-8-26)38(46-34)24-3-13-30(42)14-4-24/h1-22H
InChIKeyALAOEGCDDVDTRK-UHFFFAOYSA-N
XLogP12.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.26
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline?
The IUPAC name of 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline (CID 3106569) is 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline.
What is the SMILES notation for 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline?
The canonical SMILES for 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline is Brc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Br)cc6)c(-c6ccc(Br)cc6)nc5c4)cc3nc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline?
The InChIKey is ALAOEGCDDVDTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22Br4N4/c41-29-11-1-23(2-12-29)37-39(25-5-15-31(43)16-6-25)47-35-21-27(9-19-33(35)45-37)28-10-20-34-36(22-28)48-40(26-7-17-32(44)18-8-26)38(46-34)24-3-13-30(42)14-4-24/h1-22H.
What are the key properties of 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline?
6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline has a molecular weight of 878.26 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline is sourced from PubChem (CID 3106569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).