2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol

C66H72N4O2 — CID 134574571

IUPAC2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc2C3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C66H72N4O2/c1-37-17-25-41(26-18-37)53-54(42-27-19-38(2)20-28-42)68-58-52(46-35-49(65(11,12)13)62(72)50(36-46)66(14,15)16)60-59(51(57(58)67-53)45-33-47(63(5,6)7)61(71)48(34-45)64(8,9)10)69-55(43-29-21-39(3)22-30-43)56(70-60)44-31-23-40(4)24-32-44/h17-36,51-52,71-72H,1-16H3
InChIKeyWXIJORKEWMJMPF-UHFFFAOYSA-N
MW953.33 g/mol
LogP16.44
Rot. Bonds6

About 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol

2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol (PubChem CID 134574571) has the molecular formula C66H72N4O2 and a molecular weight of 953.33 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
PubChem CID134574571
Molecular FormulaC66H72N4O2
Molecular Weight953.33 g/mol
Exact Mass952.57
IUPAC Name2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc2C3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C66H72N4O2/c1-37-17-25-41(26-18-37)53-54(42-27-19-38(2)20-28-42)68-58-52(46-35-49(65(11,12)13)62(72)50(36-46)66(14,15)16)60-59(51(57(58)67-53)45-33-47(63(5,6)7)61(71)48(34-45)64(8,9)10)69-55(43-29-21-39(3)22-30-43)56(70-60)44-31-23-40(4)24-32-44/h17-36,51-52,71-72H,1-16H3
InChIKeyWXIJORKEWMJMPF-UHFFFAOYSA-N
XLogP16.44
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.33
LogP ≤ 516.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol (CID 134574571) is 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol is Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc2C3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.
What is the InChIKey of 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The InChIKey is WXIJORKEWMJMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H72N4O2/c1-37-17-25-41(26-18-37)53-54(42-27-19-38(2)20-28-42)68-58-52(46-35-49(65(11,12)13)62(72)50(36-46)66(14,15)16)60-59(51(57(58)67-53)45-33-47(63(5,6)7)61(71)48(34-45)64(8,9)10)69-55(43-29-21-39(3)22-30-43)56(70-60)44-31-23-40(4)24-32-44/h17-36,51-52,71-72H,1-16H3.
What are the key properties of 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol has a molecular weight of 953.33 g/mol, XLogP of 16.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3,7,8-tetrakis(4-methylphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol is sourced from PubChem (CID 134574571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).