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

C52H30F4N4 — CID 59340833

IUPAC6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(-c8ccc(F)cc8)nc7c6)cc5)cc4)cc3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C52H30F4N4/c53-41-19-9-35(10-20-41)49-51(37-13-23-43(55)24-14-37)59-47-29-39(17-27-45(47)57-49)33-5-1-31(2-6-33)32-3-7-34(8-4-32)40-18-28-46-48(30-40)60-52(38-15-25-44(56)26-16-38)50(58-46)36-11-21-42(54)22-12-36/h1-30H
InChIKeyGGRYXDWQUKUYLL-UHFFFAOYSA-N
MW786.83 g/mol
LogP13.80
Rot. Bonds7

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

6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline (PubChem CID 59340833) has the molecular formula C52H30F4N4 and a molecular weight of 786.83 g/mol. Its IUPAC name is 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline
PubChem CID59340833
Molecular FormulaC52H30F4N4
Molecular Weight786.83 g/mol
Exact Mass786.24
IUPAC Name6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(-c8ccc(F)cc8)nc7c6)cc5)cc4)cc3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C52H30F4N4/c53-41-19-9-35(10-20-41)49-51(37-13-23-43(55)24-14-37)59-47-29-39(17-27-45(47)57-49)33-5-1-31(2-6-33)32-3-7-34(8-4-32)40-18-28-46-48(30-40)60-52(38-15-25-44(56)26-16-38)50(58-46)36-11-21-42(54)22-12-36/h1-30H
InChIKeyGGRYXDWQUKUYLL-UHFFFAOYSA-N
XLogP13.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.83
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline?
The IUPAC name of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline (CID 59340833) is 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline?
The canonical SMILES for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3ccc(-c4ccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(-c8ccc(F)cc8)nc7c6)cc5)cc4)cc3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline?
The InChIKey is GGRYXDWQUKUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30F4N4/c53-41-19-9-35(10-20-41)49-51(37-13-23-43(55)24-14-37)59-47-29-39(17-27-45(47)57-49)33-5-1-31(2-6-33)32-3-7-34(8-4-32)40-18-28-46-48(30-40)60-52(38-15-25-44(56)26-16-38)50(58-46)36-11-21-42(54)22-12-36/h1-30H.
What are the key properties of 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline?
6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline has a molecular weight of 786.83 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]phenyl]phenyl]-2,3-bis(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 59340833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).