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

C41H24Br4N4 — CID 3106566

IUPAC6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(Br)cc6)c(-c6ccc(Br)cc6)nc5c4)cc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C41H24Br4N4/c42-30-11-3-26(4-12-30)38-40(28-7-15-32(44)16-8-28)48-36-22-24(1-19-34(36)46-38)21-25-2-20-35-37(23-25)49-41(29-9-17-33(45)18-10-29)39(47-35)27-5-13-31(43)14-6-27/h1-20,22-23H,21H2
InChIKeyNLCARVIZJJQESK-UHFFFAOYSA-N
MW892.29 g/mol
LogP12.88
Rot. Bonds6

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

6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline (PubChem CID 3106566) has the molecular formula C41H24Br4N4 and a molecular weight of 892.29 g/mol. Its IUPAC name is 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline.

Molecular Properties

Compound Name6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline
PubChem CID3106566
Molecular FormulaC41H24Br4N4
Molecular Weight892.29 g/mol
Exact Mass887.87
IUPAC Name6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline
SMILESBrc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(Br)cc6)c(-c6ccc(Br)cc6)nc5c4)cc3nc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C41H24Br4N4/c42-30-11-3-26(4-12-30)38-40(28-7-15-32(44)16-8-28)48-36-22-24(1-19-34(36)46-38)21-25-2-20-35-37(23-25)49-41(29-9-17-33(45)18-10-29)39(47-35)27-5-13-31(43)14-6-27/h1-20,22-23H,21H2
InChIKeyNLCARVIZJJQESK-UHFFFAOYSA-N
XLogP12.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.29
LogP ≤ 512.88
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]methyl]-2,3-bis(4-bromophenyl)quinoxaline?
The IUPAC name of 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline (CID 3106566) is 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline.
What is the SMILES notation for 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline?
The canonical SMILES for 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline is Brc1ccc(-c2nc3ccc(Cc4ccc5nc(-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]methyl]-2,3-bis(4-bromophenyl)quinoxaline?
The InChIKey is NLCARVIZJJQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24Br4N4/c42-30-11-3-26(4-12-30)38-40(28-7-15-32(44)16-8-28)48-36-22-24(1-19-34(36)46-38)21-25-2-20-35-37(23-25)49-41(29-9-17-33(45)18-10-29)39(47-35)27-5-13-31(43)14-6-27/h1-20,22-23H,21H2.
What are the key properties of 6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline?
6-[[2,3-bis(4-bromophenyl)quinoxalin-6-yl]methyl]-2,3-bis(4-bromophenyl)quinoxaline has a molecular weight of 892.29 g/mol, XLogP of 12.88, 6 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]methyl]-2,3-bis(4-bromophenyl)quinoxaline is sourced from PubChem (CID 3106566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).