5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate

C285H364O35P4 — CID 159143856

IUPAC5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C90H123O10P.C72H87O10P.C66H75O10P.C57H79O5P/c1-79(2,3)49-85(19,20)55-31-37-67-61(43-55)73(76(91)95-67)64-46-58(88(25,26)52-82(10,11)12)34-40-70(64)98-101(94,99-71-41-35-59(89(27,28)53-83(13,14)15)47-65(71)74-62-44-56(32-38-68(62)96-77(74)92)86(21,22)50-80(4,5)6)100-72-42-36-60(90(29,30)54-84(16,17)18)48-66(72)75-63-45-57(33-39-69(63)97-78(75)93)87(23,24)51-81(7,8)9;1-37-25-43(55-49-31-46(67(7,8)9)34-52(70(16,17)18)61(49)77-64(55)73)26-38(2)58(37)80-83(76,81-59-39(3)27-44(28-40(59)4)56-50-32-47(68(10,11)12)35-53(71(19,20)21)62(50)78-65(56)74)82-60-41(5)29-45(30-42(60)6)57-51-33-48(69(13,14)15)36-54(72(22,23)24)63(51)79-66(57)75;1-61(2,3)37-19-25-49-43(31-37)55(58(67)71-49)46-34-40(64(10,11)12)22-28-52(46)74-77(70,75-53-29-23-41(65(13,14)15)35-47(53)56-44-32-38(62(4,5)6)20-26-50(44)72-59(56)68)76-54-30-24-42(66(16,17)18)36-48(54)57-45-33-39(63(7,8)9)21-27-51(45)73-60(57)69;1-32-24-34(45-40-28-37(53(9,10)11)29-42(55(15,16)17)47(40)59-50(45)58)25-41(54(12,13)14)46(32)60-63-61-48-38(26-35(51(3,4)5)30-43(48)56(18,19)20)33(2)39-27-36(52(6,7)8)31-44(49(39)62-63)57(21,22)23/h31-48,73-75H,49-54H2,1-30H3;25-36,55-57H,1-24H3;19-36,55-57H,1-18H3;24-31,33,45H,1-23H3
InChIKeyKIKXTYFAJWVTJI-UHFFFAOYSA-N
MW4473.91 g/mol
LogP75.51
Rot. Bonds42

About 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate

5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate (PubChem CID 159143856) has the molecular formula C285H364O35P4 and a molecular weight of 4473.91 g/mol. Its IUPAC name is 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate.

Molecular Properties

Compound Name5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate
PubChem CID159143856
Molecular FormulaC285H364O35P4
Molecular Weight4473.91 g/mol
Exact Mass4470.57
IUPAC Name5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C90H123O10P.C72H87O10P.C66H75O10P.C57H79O5P/c1-79(2,3)49-85(19,20)55-31-37-67-61(43-55)73(76(91)95-67)64-46-58(88(25,26)52-82(10,11)12)34-40-70(64)98-101(94,99-71-41-35-59(89(27,28)53-83(13,14)15)47-65(71)74-62-44-56(32-38-68(62)96-77(74)92)86(21,22)50-80(4,5)6)100-72-42-36-60(90(29,30)54-84(16,17)18)48-66(72)75-63-45-57(33-39-69(63)97-78(75)93)87(23,24)51-81(7,8)9;1-37-25-43(55-49-31-46(67(7,8)9)34-52(70(16,17)18)61(49)77-64(55)73)26-38(2)58(37)80-83(76,81-59-39(3)27-44(28-40(59)4)56-50-32-47(68(10,11)12)35-53(71(19,20)21)62(50)78-65(56)74)82-60-41(5)29-45(30-42(60)6)57-51-33-48(69(13,14)15)36-54(72(22,23)24)63(51)79-66(57)75;1-61(2,3)37-19-25-49-43(31-37)55(58(67)71-49)46-34-40(64(10,11)12)22-28-52(46)74-77(70,75-53-29-23-41(65(13,14)15)35-47(53)56-44-32-38(62(4,5)6)20-26-50(44)72-59(56)68)76-54-30-24-42(66(16,17)18)36-48(54)57-45-33-39(63(7,8)9)21-27-51(45)73-60(57)69;1-32-24-34(45-40-28-37(53(9,10)11)29-42(55(15,16)17)47(40)59-50(45)58)25-41(54(12,13)14)46(32)60-63-61-48-38(26-35(51(3,4)5)30-43(48)56(18,19)20)33(2)39-27-36(52(6,7)8)31-44(49(39)62-63)57(21,22)23/h31-48,73-75H,49-54H2,1-30H3;25-36,55-57H,1-24H3;19-36,55-57H,1-18H3;24-31,33,45H,1-23H3
InChIKeyKIKXTYFAJWVTJI-UHFFFAOYSA-N
XLogP75.51
TPSA424.97 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004473.91
LogP ≤ 575.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-3-[5-tert-butyl-2-[[3-[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]-3,9-dioxo-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]phenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[3-tert-butyl-4-[[3-[2-tert-butyl-4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-6-methylphenoxy]-3,9-dioxo-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-methylphenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[3-tert-butyl-4-[[3-[2-tert-butyl-4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-6-methylphenoxy]-3-oxo-2,4,8,10-tetraoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-methylphenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[4-[[3-[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenoxy]-3,9-dioxo-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]-3,5-dimethylphenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[4-[[3-[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenoxy]-3-oxo-2,4,8,10-tetraoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-3,5-dimethylphenyl]-3H-1-benzofuran-2-one;3-[2-[[3,9-dioxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one
CID 167698844
5-tert-butyl-3-[5-tert-butyl-2-[[3-[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]-3,9-dioxo-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]phenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[4-[[3-[2-tert-butyl-4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-6-methylphenoxy]-3-oxo-2,4,8,10-tetraoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-3,5-dimethylphenyl]-3H-1-benzofuran-2-one;5,7-ditert-butyl-3-[4-[[3-[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenoxy]-3-oxo-2,4,8,10-tetraoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-3,5-dimethylphenyl]-3H-1-benzofuran-2-one;3-[2-[[3,9-dioxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one
CID 158379417
bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate
CID 161351881
[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one
CID 159103985
(3S)-5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one
CID 121493103
5,7-ditert-butyl-3-(4-tert-butylphenyl)-3H-1-benzofuran-2-one
CID 22948148
[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl] acetate
CID 89155984
[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] pentanoate
CID 140997276
5,7-ditert-butyl-3-[3,5-dimethyl-4-[(1,3,7,9-tetratert-butyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one
CID 137398584
butane;5,7-ditert-butyl-3-(3,5-dimethylphenyl)-3H-1-benzofuran-2-one
CID 174782396
[4-ethyl-2-(5-ethyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] [4-(2-methylbutan-2-yl)-2-[5-(2-methylbutan-2-yl)-2-oxo-3H-1-benzofuran-3-yl]phenyl] [2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
CID 126668393
5,7-ditert-butyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3H-1-benzofuran-2-one
CID 19930567

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate?
The IUPAC name of 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate (CID 159143856) is 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate.
What is the SMILES notation for 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate?
The canonical SMILES for 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate is CC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc31)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc3ccc(C(C)(C)C)cc31)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.
What is the InChIKey of 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate?
The InChIKey is KIKXTYFAJWVTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H123O10P.C72H87O10P.C66H75O10P.C57H79O5P/c1-79(2,3)49-85(19,20)55-31-37-67-61(43-55)73(76(91)95-67)64-46-58(88(25,26)52-82(10,11)12)34-40-70(64)98-101(94,99-71-41-35-59(89(27,28)53-83(13,14)15)47-65(71)74-62-44-56(32-38-68(62)96-77(74)92)86(21,22)50-80(4,5)6)100-72-42-36-60(90(29,30)54-84(16,17)18)48-66(72)75-63-45-57(33-39-69(63)97-78(75)93)87(23,24)51-81(7,8)9;1-37-25-43(55-49-31-46(67(7,8)9)34-52(70(16,17)18)61(49)77-64(55)73)26-38(2)58(37)80-83(76,81-59-39(3)27-44(28-40(59)4)56-50-32-47(68(10,11)12)35-53(71(19,20)21)62(50)78-65(56)74)82-60-41(5)29-45(30-42(60)6)57-51-33-48(69(13,14)15)36-54(72(22,23)24)63(51)79-66(57)75;1-61(2,3)37-19-25-49-43(31-37)55(58(67)71-49)46-34-40(64(10,11)12)22-28-52(46)74-77(70,75-53-29-23-41(65(13,14)15)35-47(53)56-44-32-38(62(4,5)6)20-26-50(44)72-59(56)68)76-54-30-24-42(66(16,17)18)36-48(54)57-45-33-39(63(7,8)9)21-27-51(45)73-60(57)69;1-32-24-34(45-40-28-37(53(9,10)11)29-42(55(15,16)17)47(40)59-50(45)58)25-41(54(12,13)14)46(32)60-63-61-48-38(26-35(51(3,4)5)30-43(48)56(18,19)20)33(2)39-27-36(52(6,7)8)31-44(49(39)62-63)57(21,22)23/h31-48,73-75H,49-54H2,1-30H3;25-36,55-57H,1-24H3;19-36,55-57H,1-18H3;24-31,33,45H,1-23H3.
What are the key properties of 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate?
5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate has a molecular weight of 4473.91 g/mol, XLogP of 75.51, 42 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-3-[3-tert-butyl-5-methyl-4-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-1-benzofuran-2-one;tris[4-tert-butyl-2-(5-tert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenyl] phosphate;tris[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phosphate;tris[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate is sourced from PubChem (CID 159143856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).