2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline

C41H25F3N4 — CID 59800544

IUPAC2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
SMILESFC(F)(F)c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C41H25F3N4/c42-41(43,44)32-19-11-10-18-31(32)40-39(28-16-8-3-9-17-28)46-34-23-21-30(25-36(34)48-40)29-20-22-33-35(24-29)47-38(27-14-6-2-7-15-27)37(45-33)26-12-4-1-5-13-26/h1-25H
InChIKeyFBNQMSVKAPZSCB-UHFFFAOYSA-N
MW630.67 g/mol
LogP10.93
Rot. Bonds5

About 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline

2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline (PubChem CID 59800544) has the molecular formula C41H25F3N4 and a molecular weight of 630.67 g/mol. Its IUPAC name is 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline.

Molecular Properties

Compound Name2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
PubChem CID59800544
Molecular FormulaC41H25F3N4
Molecular Weight630.67 g/mol
Exact Mass630.20
IUPAC Name2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
SMILESFC(F)(F)c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C41H25F3N4/c42-41(43,44)32-19-11-10-18-31(32)40-39(28-16-8-3-9-17-28)46-34-23-21-30(25-36(34)48-40)29-20-22-33-35(24-29)47-38(27-14-6-2-7-15-27)37(45-33)26-12-4-1-5-13-26/h1-25H
InChIKeyFBNQMSVKAPZSCB-UHFFFAOYSA-N
XLogP10.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The IUPAC name of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline (CID 59800544) is 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline.
What is the SMILES notation for 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The canonical SMILES for 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline is FC(F)(F)c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)ccc2nc1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The InChIKey is FBNQMSVKAPZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3N4/c42-41(43,44)32-19-11-10-18-31(32)40-39(28-16-8-3-9-17-28)46-34-23-21-30(25-36(34)48-40)29-20-22-33-35(24-29)47-38(27-14-6-2-7-15-27)37(45-33)26-12-4-1-5-13-26/h1-25H.
What are the key properties of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline has a molecular weight of 630.67 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline is sourced from PubChem (CID 59800544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).