4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol

C132H179NO6 — CID 159088558

IUPAC4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol
SMILESCc1c(C(C)(C)C)cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3)c(Cc3cc(C(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)ccc3Cc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1C(C)(C)C
InChIInChI=1S/C132H179NO6/c1-78-98(119(2,3)4)61-84(62-99(78)120(5,6)7)54-81-57-94(59-86-69-106(127(26,27)28)116(137)107(70-86)128(29,30)31)112(133-96-50-45-79(46-51-96)52-82-63-100(121(8,9)10)113(134)101(64-82)122(11,12)13)95(58-81)75-92-74-90(97(93-76-110(131(38,39)40)118(139)111(77-93)132(41,42)43)60-87-71-108(129(32,33)34)117(138)109(72-87)130(35,36)37)49-48-89(92)73-88-47-44-80(53-83-65-102(123(14,15)16)114(135)103(66-83)124(17,18)19)55-91(88)56-85-67-104(125(20,21)22)115(136)105(68-85)126(23,24)25/h44-51,55,57-58,61-72,74,76-77,97,133-139H,52-54,56,59-60,73,75H2,1-43H3
InChIKeySCPKHPRVLJIIRQ-UHFFFAOYSA-N
MW1875.88 g/mol
LogP34.65
Rot. Bonds20

About 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol

4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol (PubChem CID 159088558) has the molecular formula C132H179NO6 and a molecular weight of 1875.88 g/mol. Its IUPAC name is 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol
PubChem CID159088558
Molecular FormulaC132H179NO6
Molecular Weight1875.88 g/mol
Exact Mass1874.37
IUPAC Name4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol
SMILESCc1c(C(C)(C)C)cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3)c(Cc3cc(C(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)ccc3Cc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1C(C)(C)C
InChIInChI=1S/C132H179NO6/c1-78-98(119(2,3)4)61-84(62-99(78)120(5,6)7)54-81-57-94(59-86-69-106(127(26,27)28)116(137)107(70-86)128(29,30)31)112(133-96-50-45-79(46-51-96)52-82-63-100(121(8,9)10)113(134)101(64-82)122(11,12)13)95(58-81)75-92-74-90(97(93-76-110(131(38,39)40)118(139)111(77-93)132(41,42)43)60-87-71-108(129(32,33)34)117(138)109(72-87)130(35,36)37)49-48-89(92)73-88-47-44-80(53-83-65-102(123(14,15)16)114(135)103(66-83)124(17,18)19)55-91(88)56-85-67-104(125(20,21)22)115(136)105(68-85)126(23,24)25/h44-51,55,57-58,61-72,74,76-77,97,133-139H,52-54,56,59-60,73,75H2,1-43H3
InChIKeySCPKHPRVLJIIRQ-UHFFFAOYSA-N
XLogP34.65
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.88
LogP ≤ 534.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol with MolForge

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Related Compounds

4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
CID 87990128
2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-phenylsulfanylphenyl]methyl]phenol
CID 58276202
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
2-tert-butyl-6-[[5-tert-butyl-3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2-(4-methylanilino)phenyl]methyl]-4-methylphenol;toluene
CID 139141778
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139747892
4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 172738115
2,6-ditert-butyl-4-[1-[4-(4-methylanilino)phenyl]ethyl]phenol
CID 20764849
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
4-[2-(4-benzylphenyl)ethyl]-2,6-ditert-butylphenol
CID 149334289
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2-carboxy-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenolate
CID 54720840
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol (CID 159088558) is 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol is Cc1c(C(C)(C)C)cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3)c(Cc3cc(C(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)ccc3Cc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc1C(C)(C)C.
What is the InChIKey of 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol?
The InChIKey is SCPKHPRVLJIIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H179NO6/c1-78-98(119(2,3)4)61-84(62-99(78)120(5,6)7)54-81-57-94(59-86-69-106(127(26,27)28)116(137)107(70-86)128(29,30)31)112(133-96-50-45-79(46-51-96)52-82-63-100(121(8,9)10)113(134)101(64-82)122(11,12)13)95(58-81)75-92-74-90(97(93-76-110(131(38,39)40)118(139)111(77-93)132(41,42)43)60-87-71-108(129(32,33)34)117(138)109(72-87)130(35,36)37)49-48-89(92)73-88-47-44-80(53-83-65-102(123(14,15)16)114(135)103(66-83)124(17,18)19)55-91(88)56-85-67-104(125(20,21)22)115(136)105(68-85)126(23,24)25/h44-51,55,57-58,61-72,74,76-77,97,133-139H,52-54,56,59-60,73,75H2,1-43H3.
What are the key properties of 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol?
4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol has a molecular weight of 1875.88 g/mol, XLogP of 34.65, 20 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 159088558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).