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

C42H27F3N4 — CID 58274136

IUPAC3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
SMILESCc1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5C(F)(F)F)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C42H27F3N4/c1-26-12-8-9-17-31(26)40-38(27-13-4-2-5-14-27)46-34-22-20-29(24-36(34)48-40)30-21-23-35-37(25-30)49-41(39(47-35)28-15-6-3-7-16-28)32-18-10-11-19-33(32)42(43,44)45/h2-25H,1H3
InChIKeyCYALYFCRTPPUDS-UHFFFAOYSA-N
MW644.70 g/mol
LogP11.24
Rot. Bonds5

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

3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline (PubChem CID 58274136) has the molecular formula C42H27F3N4 and a molecular weight of 644.70 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
PubChem CID58274136
Molecular FormulaC42H27F3N4
Molecular Weight644.70 g/mol
Exact Mass644.22
IUPAC Name3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
SMILESCc1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5C(F)(F)F)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C42H27F3N4/c1-26-12-8-9-17-31(26)40-38(27-13-4-2-5-14-27)46-34-22-20-29(24-36(34)48-40)30-21-23-35-37(25-30)49-41(39(47-35)28-15-6-3-7-16-28)32-18-10-11-19-33(32)42(43,44)45/h2-25H,1H3
InChIKeyCYALYFCRTPPUDS-UHFFFAOYSA-N
XLogP11.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.70
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The IUPAC name of 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline (CID 58274136) is 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline.
What is the SMILES notation for 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The canonical SMILES for 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline is Cc1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5C(F)(F)F)nc4c3)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
The InChIKey is CYALYFCRTPPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F3N4/c1-26-12-8-9-17-31(26)40-38(27-13-4-2-5-14-27)46-34-22-20-29(24-36(34)48-40)30-21-23-35-37(25-30)49-41(39(47-35)28-15-6-3-7-16-28)32-18-10-11-19-33(32)42(43,44)45/h2-25H,1H3.
What are the key properties of 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline?
3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline has a molecular weight of 644.70 g/mol, XLogP of 11.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline is sourced from PubChem (CID 58274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).