5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline

C33H21F3N2 — CID 58161744

IUPAC5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1
InChIInChI=1S/C33H21F3N2/c1-20-12-14-24(28(35)18-20)26-16-17-27(25-15-13-23(34)19-29(25)36)33-32(26)37-30(21-8-4-2-5-9-21)31(38-33)22-10-6-3-7-11-22/h2-19H,1H3
InChIKeyOLWXQEIEUZNJRF-UHFFFAOYSA-N
MW502.54 g/mol
LogP9.02
Rot. Bonds4

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

5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline (PubChem CID 58161744) has the molecular formula C33H21F3N2 and a molecular weight of 502.54 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline
PubChem CID58161744
Molecular FormulaC33H21F3N2
Molecular Weight502.54 g/mol
Exact Mass502.17
IUPAC Name5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1
InChIInChI=1S/C33H21F3N2/c1-20-12-14-24(28(35)18-20)26-16-17-27(25-15-13-23(34)19-29(25)36)33-32(26)37-30(21-8-4-2-5-9-21)31(38-33)22-10-6-3-7-11-22/h2-19H,1H3
InChIKeyOLWXQEIEUZNJRF-UHFFFAOYSA-N
XLogP9.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.54
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline?
The IUPAC name of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline (CID 58161744) is 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline.
What is the SMILES notation for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline?
The canonical SMILES for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline is Cc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline?
The InChIKey is OLWXQEIEUZNJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3N2/c1-20-12-14-24(28(35)18-20)26-16-17-27(25-15-13-23(34)19-29(25)36)33-32(26)37-30(21-8-4-2-5-9-21)31(38-33)22-10-6-3-7-11-22/h2-19H,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline?
5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline has a molecular weight of 502.54 g/mol, XLogP of 9.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 58161744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).