5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline

C32H18F4N2 — CID 58161746

IUPAC5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1
InChIInChI=1S/C32H18F4N2/c33-21-11-13-23(27(35)17-21)25-15-16-26(24-14-12-22(34)18-28(24)36)32-31(25)37-29(19-7-3-1-4-8-19)30(38-32)20-9-5-2-6-10-20/h1-18H
InChIKeyFPAXPENBPQZKJV-UHFFFAOYSA-N
MW506.50 g/mol
LogP8.85
Rot. Bonds4

About 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline

5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline (PubChem CID 58161746) has the molecular formula C32H18F4N2 and a molecular weight of 506.50 g/mol. Its IUPAC name is 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline
PubChem CID58161746
Molecular FormulaC32H18F4N2
Molecular Weight506.50 g/mol
Exact Mass506.14
IUPAC Name5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1
InChIInChI=1S/C32H18F4N2/c33-21-11-13-23(27(35)17-21)25-15-16-26(24-14-12-22(34)18-28(24)36)32-31(25)37-29(19-7-3-1-4-8-19)30(38-32)20-9-5-2-6-10-20/h1-18H
InChIKeyFPAXPENBPQZKJV-UHFFFAOYSA-N
XLogP8.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.50
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline?
The IUPAC name of 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline (CID 58161746) is 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline.
What is the SMILES notation for 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline?
The canonical SMILES for 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline is Fc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1.
What is the InChIKey of 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline?
The InChIKey is FPAXPENBPQZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F4N2/c33-21-11-13-23(27(35)17-21)25-15-16-26(24-14-12-22(34)18-28(24)36)32-31(25)37-29(19-7-3-1-4-8-19)30(38-32)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline?
5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline has a molecular weight of 506.50 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(2,4-difluorophenyl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 58161746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).