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

C54H80N4O2 — CID 134574572

IUPAC2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
SMILESCCCCc1nc2c(nc1CCCC)C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(CCCC)c(CCCC)nc1C2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C54H80N4O2/c1-17-21-25-39-40(26-22-18-2)56-46-44(34-31-37(53(11,12)13)50(60)38(32-34)54(14,15)16)48-47(57-41(27-23-19-3)42(58-48)28-24-20-4)43(45(46)55-39)33-29-35(51(5,6)7)49(59)36(30-33)52(8,9)10/h29-32,43-44,59-60H,17-28H2,1-16H3
InChIKeyCKTAUZBHAXQIDT-UHFFFAOYSA-N
MW817.26 g/mol
LogP13.91
Rot. Bonds14

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

2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol (PubChem CID 134574572) has the molecular formula C54H80N4O2 and a molecular weight of 817.26 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
PubChem CID134574572
Molecular FormulaC54H80N4O2
Molecular Weight817.26 g/mol
Exact Mass816.63
IUPAC Name2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol
SMILESCCCCc1nc2c(nc1CCCC)C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(CCCC)c(CCCC)nc1C2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C54H80N4O2/c1-17-21-25-39-40(26-22-18-2)56-46-44(34-31-37(53(11,12)13)50(60)38(32-34)54(14,15)16)48-47(57-41(27-23-19-3)42(58-48)28-24-20-4)43(45(46)55-39)33-29-35(51(5,6)7)49(59)36(30-33)52(8,9)10/h29-32,43-44,59-60H,17-28H2,1-16H3
InChIKeyCKTAUZBHAXQIDT-UHFFFAOYSA-N
XLogP13.91
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.26
LogP ≤ 513.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
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
2,6-ditert-butyl-4-[[2,4,6-tributyl-3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 137459723
6-[(3,5-ditert-butyl-4-hydroxyanilino)methyl]-1,3,5-triazine-2,4-disulfonic acid;octane
CID 174750524
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-3-yl]phenol
CID 139825092
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
(2S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-octadecylpyrrolidine-2-carboxylic acid
CID 87556226
5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 23526118
2,6-ditert-butyl-4-[[dibutyl-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]silyl]methylsulfanyl]phenol
CID 19088165

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol (CID 134574572) is 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol is CCCCc1nc2c(nc1CCCC)C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(CCCC)c(CCCC)nc1C2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
The InChIKey is CKTAUZBHAXQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H80N4O2/c1-17-21-25-39-40(26-22-18-2)56-46-44(34-31-37(53(11,12)13)50(60)38(32-34)54(14,15)16)48-47(57-41(27-23-19-3)42(58-48)28-24-20-4)43(45(46)55-39)33-29-35(51(5,6)7)49(59)36(30-33)52(8,9)10/h29-32,43-44,59-60H,17-28H2,1-16H3.
What are the key properties of 2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol?
2,6-ditert-butyl-4-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol has a molecular weight of 817.26 g/mol, XLogP of 13.91, 14 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-[2,3,7,8-tetrabutyl-5-(3,5-ditert-butyl-4-hydroxyphenyl)-5,10-dihydropyrazino[2,3-g]quinoxalin-10-yl]phenol is sourced from PubChem (CID 134574572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).