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

C84H51F9N8 — CID 123630133

IUPAC3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESCc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C(F)(F)F)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6cccc(C(F)(F)F)c6)nc5c4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C42H24F6N4.C42H27F3N4/c43-41(44,45)31-15-7-13-29(21-31)39-37(25-9-3-1-4-10-25)49-33-19-17-27(23-35(33)51-39)28-18-20-34-36(24-28)52-40(38(50-34)26-11-5-2-6-12-26)30-14-8-16-32(22-30)42(46,47)48;1-26-12-14-29(15-13-26)40-38(27-8-4-2-5-9-27)46-34-22-18-31(24-36(34)48-40)32-19-23-35-37(25-32)49-41(39(47-35)28-10-6-3-7-11-28)30-16-20-33(21-17-30)42(43,44)45/h1-24H;2-25H,1H3
InChIKeyKHNOHRMXYLHPCS-UHFFFAOYSA-N
MW1343.37 g/mol
LogP23.18
Rot. Bonds10

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

3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 123630133) has the molecular formula C84H51F9N8 and a molecular weight of 1343.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline
PubChem CID123630133
Molecular FormulaC84H51F9N8
Molecular Weight1343.37 g/mol
Exact Mass1342.41
IUPAC Name3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESCc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C(F)(F)F)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6cccc(C(F)(F)F)c6)nc5c4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C42H24F6N4.C42H27F3N4/c43-41(44,45)31-15-7-13-29(21-31)39-37(25-9-3-1-4-10-25)49-33-19-17-27(23-35(33)51-39)28-18-20-34-36(24-28)52-40(38(50-34)26-11-5-2-6-12-26)30-14-8-16-32(22-30)42(46,47)48;1-26-12-14-29(15-13-26)40-38(27-8-4-2-5-9-27)46-34-22-18-31(24-36(34)48-40)32-19-23-35-37(25-32)49-41(39(47-35)28-10-6-3-7-11-28)30-16-20-33(21-17-30)42(43,44)45/h1-24H;2-25H,1H3
InChIKeyKHNOHRMXYLHPCS-UHFFFAOYSA-N
XLogP23.18
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.37
LogP ≤ 523.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline (CID 123630133) is 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline is Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C(F)(F)F)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1.FC(F)(F)c1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6cccc(C(F)(F)F)c6)nc5c4)ccc3nc2-c2ccccc2)c1.
What is the InChIKey of 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is KHNOHRMXYLHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F6N4.C42H27F3N4/c43-41(44,45)31-15-7-13-29(21-31)39-37(25-9-3-1-4-10-25)49-33-19-17-27(23-35(33)51-39)28-18-20-34-36(24-28)52-40(38(50-34)26-11-5-2-6-12-26)30-14-8-16-32(22-30)42(46,47)48;1-26-12-14-29(15-13-26)40-38(27-8-4-2-5-9-27)46-34-22-18-31(24-36(34)48-40)32-19-23-35-37(25-32)49-41(39(47-35)28-10-6-3-7-11-28)30-16-20-33(21-17-30)42(43,44)45/h1-24H;2-25H,1H3.
What are the key properties of 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline?
3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 1343.37 g/mol, XLogP of 23.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline;2-phenyl-6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 123630133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).