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

C338H436O70P12 — CID 167698844

IUPAC5-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
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)CC(C)(C)C)cc41)OC3)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)C)cc41)OC3)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2
InChIInChI=1S/C65H90O12P2.C59H78O12P2.C59H78O11P2.C53H66O12P2.C53H66O11P2.C49H58O12P2/c1-57(2,3)33-61(13,14)41-21-25-49-45(29-41)53(55(66)74-49)47-31-43(63(17,18)35-59(7,8)9)23-27-51(47)76-78(68)70-37-65(38-71-78)39-72-79(69,73-40-65)77-52-28-24-44(64(19,20)36-60(10,11)12)32-48(52)54-46-30-42(22-26-50(46)75-56(54)67)62(15,16)34-58(4,5)6;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)68-51(45)60)23-41(55(9,10)11)47(33)70-72(62)64-29-59(30-65-72)31-66-73(63,67-32-59)71-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)69-52(46)61;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)67-51(45)60)23-41(55(9,10)11)47(33)69-71-63-29-59(30-64-71)31-65-72(62,66-32-59)70-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)68-52(46)61;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)62-47(41)54)18-30(2)43(29)64-66(56)58-25-53(26-59-66)27-60-67(57,61-28-53)65-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)63-48(42)55;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)61-47(41)54)18-30(2)43(29)63-65-57-25-53(26-58-65)27-59-66(56,60-28-53)64-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)62-48(42)55;1-45(2,3)29-13-17-37-33(21-29)41(43(50)58-37)35-23-31(47(7,8)9)15-19-39(35)60-62(52)54-25-49(26-55-62)27-56-63(53,57-28-49)61-40-20-16-32(48(10,11)12)24-36(40)42-34-22-30(46(4,5)6)14-18-38(34)59-44(42)51/h21-32,53-54H,33-40H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;17-24,41-42H,25-28H2,1-16H3;17-24,41-42H,25-28H2,1-16H3;13-24,41-42H,25-28H2,1-12H3
InChIKeyYBLDPQUTHRZSFO-UHFFFAOYSA-N
MW5990.82 g/mol
LogP85.19
Rot. Bonds44

About 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

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 (PubChem CID 167698844) has the molecular formula C338H436O70P12 and a molecular weight of 5990.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167698844
Molecular FormulaC338H436O70P12
Molecular Weight5990.82 g/mol
Exact Mass5986.74
IUPAC Name5-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
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)CC(C)(C)C)cc41)OC3)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)C)cc41)OC3)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2
InChIInChI=1S/C65H90O12P2.C59H78O12P2.C59H78O11P2.C53H66O12P2.C53H66O11P2.C49H58O12P2/c1-57(2,3)33-61(13,14)41-21-25-49-45(29-41)53(55(66)74-49)47-31-43(63(17,18)35-59(7,8)9)23-27-51(47)76-78(68)70-37-65(38-71-78)39-72-79(69,73-40-65)77-52-28-24-44(64(19,20)36-60(10,11)12)32-48(52)54-46-30-42(22-26-50(46)75-56(54)67)62(15,16)34-58(4,5)6;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)68-51(45)60)23-41(55(9,10)11)47(33)70-72(62)64-29-59(30-65-72)31-66-73(63,67-32-59)71-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)69-52(46)61;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)67-51(45)60)23-41(55(9,10)11)47(33)69-71-63-29-59(30-64-71)31-65-72(62,66-32-59)70-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)68-52(46)61;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)62-47(41)54)18-30(2)43(29)64-66(56)58-25-53(26-59-66)27-60-67(57,61-28-53)65-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)63-48(42)55;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)61-47(41)54)18-30(2)43(29)63-65-57-25-53(26-58-65)27-59-66(56,60-28-53)64-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)62-48(42)55;1-45(2,3)29-13-17-37-33(21-29)41(43(50)58-37)35-23-31(47(7,8)9)15-19-39(35)60-62(52)54-25-49(26-55-62)27-56-63(53,57-28-49)61-40-20-16-32(48(10,11)12)24-36(40)42-34-22-30(46(4,5)6)14-18-38(34)59-44(42)51/h21-32,53-54H,33-40H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;17-24,41-42H,25-28H2,1-16H3;17-24,41-42H,25-28H2,1-16H3;13-24,41-42H,25-28H2,1-12H3
InChIKeyYBLDPQUTHRZSFO-UHFFFAOYSA-N
XLogP85.19
TPSA818.58 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds44
Heavy Atoms420
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005990.82
LogP ≤ 585.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 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 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-[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
[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
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
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
5,7-ditert-butyl-3-(4-tert-butylphenyl)-3H-1-benzofuran-2-one
CID 22948148
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
(3S)-5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one
CID 121493103
[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
3,9-bis(4-tert-butyl-2-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 14094156
[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] pentanoate
CID 140997276
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)CC(C)(C)C)cc41)OC3)C(=O)O2.CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)C)ccc1OP1(=O)OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)C)cc41)OC3)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C(C)(C)C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C(C)(C)C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1(=O)OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1OCC2(CO1)COP(=O)(Oc1c(C)cc(C3C(=O)Oc4c3cc(C(C)(C)C)cc4C(C)(C)C)cc1C)OC2.
What is the InChIKey of 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?
The InChIKey is YBLDPQUTHRZSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H90O12P2.C59H78O12P2.C59H78O11P2.C53H66O12P2.C53H66O11P2.C49H58O12P2/c1-57(2,3)33-61(13,14)41-21-25-49-45(29-41)53(55(66)74-49)47-31-43(63(17,18)35-59(7,8)9)23-27-51(47)76-78(68)70-37-65(38-71-78)39-72-79(69,73-40-65)77-52-28-24-44(64(19,20)36-60(10,11)12)32-48(52)54-46-30-42(22-26-50(46)75-56(54)67)62(15,16)34-58(4,5)6;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)68-51(45)60)23-41(55(9,10)11)47(33)70-72(62)64-29-59(30-65-72)31-66-73(63,67-32-59)71-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)69-52(46)61;1-33-21-35(45-39-25-37(53(3,4)5)27-43(57(15,16)17)49(39)67-51(45)60)23-41(55(9,10)11)47(33)69-71-63-29-59(30-64-71)31-65-72(62,66-32-59)70-48-34(2)22-36(24-42(48)56(12,13)14)46-40-26-38(54(6,7)8)28-44(58(18,19)20)50(40)68-52(46)61;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)62-47(41)54)18-30(2)43(29)64-66(56)58-25-53(26-59-66)27-60-67(57,61-28-53)65-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)63-48(42)55;1-29-17-33(41-37-21-35(49(5,6)7)23-39(51(11,12)13)45(37)61-47(41)54)18-30(2)43(29)63-65-57-25-53(26-58-65)27-59-66(56,60-28-53)64-44-31(3)19-34(20-32(44)4)42-38-22-36(50(8,9)10)24-40(52(14,15)16)46(38)62-48(42)55;1-45(2,3)29-13-17-37-33(21-29)41(43(50)58-37)35-23-31(47(7,8)9)15-19-39(35)60-62(52)54-25-49(26-55-62)27-56-63(53,57-28-49)61-40-20-16-32(48(10,11)12)24-36(40)42-34-22-30(46(4,5)6)14-18-38(34)59-44(42)51/h21-32,53-54H,33-40H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;21-28,45-46H,29-32H2,1-20H3;17-24,41-42H,25-28H2,1-16H3;17-24,41-42H,25-28H2,1-16H3;13-24,41-42H,25-28H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 5990.82 g/mol, XLogP of 85.19, 44 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167698844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).