2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline

C82H53F3N8 — CID 123893961

IUPAC2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline
SMILESCc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C41H25F3N4.C41H28N4/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;1-27-17-19-31(20-18-27)41-39(29-13-7-3-8-14-29)43-35-24-22-33(26-37(35)45-41)32-21-23-34-36(25-32)44-40(30-15-9-4-10-16-30)38(42-34)28-11-5-2-6-12-28/h1-25H;2-26H,1H3
InChIKeyHOGYTVPUGCLWNO-UHFFFAOYSA-N
MW1207.38 g/mol
LogP21.14
Rot. Bonds10

About 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline

2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline (PubChem CID 123893961) has the molecular formula C82H53F3N8 and a molecular weight of 1207.38 g/mol. Its IUPAC name is 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline.

Molecular Properties

Compound Name2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline
PubChem CID123893961
Molecular FormulaC82H53F3N8
Molecular Weight1207.38 g/mol
Exact Mass1206.43
IUPAC Name2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline
SMILESCc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)ccc2nc1-c1ccccc1
InChIInChI=1S/C41H25F3N4.C41H28N4/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;1-27-17-19-31(20-18-27)41-39(29-13-7-3-8-14-29)43-35-24-22-33(26-37(35)45-41)32-21-23-34-36(25-32)44-40(30-15-9-4-10-16-30)38(42-34)28-11-5-2-6-12-28/h1-25H;2-26H,1H3
InChIKeyHOGYTVPUGCLWNO-UHFFFAOYSA-N
XLogP21.14
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.38
LogP ≤ 521.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline with MolForge

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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;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline?
The IUPAC name of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline (CID 123893961) is 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline.
What is the SMILES notation for 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline?
The canonical SMILES for 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline is Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1.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;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline?
The InChIKey is HOGYTVPUGCLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3N4.C41H28N4/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;1-27-17-19-31(20-18-27)41-39(29-13-7-3-8-14-29)43-35-24-22-33(26-37(35)45-41)32-21-23-34-36(25-32)44-40(30-15-9-4-10-16-30)38(42-34)28-11-5-2-6-12-28/h1-25H;2-26H,1H3.
What are the key properties of 2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline?
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline has a molecular weight of 1207.38 g/mol, XLogP of 21.14, 10 rotatable bonds, 0 hydrogen bond donors, and 8 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;6-(2,3-diphenylquinoxalin-6-yl)-3-(4-methylphenyl)-2-phenylquinoxaline is sourced from PubChem (CID 123893961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).