2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol

C70H92O5 — CID 12057284

IUPAC2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c2cccc3c2oc2c(C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C70H92O5/c1-63(2,3)39-31-47(57(71)51(35-39)67(13,14)15)55(48-32-40(64(4,5)6)36-52(58(48)72)68(16,17)18)45-29-25-27-43-44-28-26-30-46(62(44)75-61(43)45)56(49-33-41(65(7,8)9)37-53(59(49)73)69(19,20)21)50-34-42(66(10,11)12)38-54(60(50)74)70(22,23)24/h25-38,55-56,71-74H,1-24H3
InChIKeyQUTVZYIHMQHGRB-UHFFFAOYSA-N
MW1013.50 g/mol
LogP19.15
Rot. Bonds6

About 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol

2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol (PubChem CID 12057284) has the molecular formula C70H92O5 and a molecular weight of 1013.50 g/mol. Its IUPAC name is 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
PubChem CID12057284
Molecular FormulaC70H92O5
Molecular Weight1013.50 g/mol
Exact Mass1012.69
IUPAC Name2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c2cccc3c2oc2c(C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cccc23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C70H92O5/c1-63(2,3)39-31-47(57(71)51(35-39)67(13,14)15)55(48-32-40(64(4,5)6)36-52(58(48)72)68(16,17)18)45-29-25-27-43-44-28-26-30-46(62(44)75-61(43)45)56(49-33-41(65(7,8)9)37-53(59(49)73)69(19,20)21)50-34-42(66(10,11)12)38-54(60(50)74)70(22,23)24/h25-38,55-56,71-74H,1-24H3
InChIKeyQUTVZYIHMQHGRB-UHFFFAOYSA-N
XLogP19.15
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.50
LogP ≤ 519.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730
2-[(2-bromophenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 177499122
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol
CID 87436443
2-(3,5-ditert-butyl-2-hydroxyphenyl)propanedinitrile
CID 13414640
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247011
4,24,29,35-tetratert-butyl-14-oxaoctacyclo[31.3.1.12,6.122,26.127,31.08,13.012,16.015,20]tetraconta-1(36),2,4,6(40),8(13),9,11,15(20),16,18,22(39),23,25,27,29,31(38),33(37),34-octadecaene-37,38,39,40-tetrol
CID 101124444
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247002
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-ditert-butylphenol
CID 171261580
2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
CID 176635328
2-[(1S)-1-amino-2-fluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201880

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol (CID 12057284) is 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol is CC(C)(C)c1cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c2cccc3c2oc2c(C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)cccc23)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
The InChIKey is QUTVZYIHMQHGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H92O5/c1-63(2,3)39-31-47(57(71)51(35-39)67(13,14)15)55(48-32-40(64(4,5)6)36-52(58(48)72)68(16,17)18)45-29-25-27-43-44-28-26-30-46(62(44)75-61(43)45)56(49-33-41(65(7,8)9)37-53(59(49)73)69(19,20)21)50-34-42(66(10,11)12)38-54(60(50)74)70(22,23)24/h25-38,55-56,71-74H,1-24H3.
What are the key properties of 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol?
2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol has a molecular weight of 1013.50 g/mol, XLogP of 19.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]dibenzofuran-4-yl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 12057284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).