[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium

C336H361F13N8O20Zr5 — CID 158039631

IUPAC[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium
SMILESC.C.CC[C@H](C[C@H](CC)[OH+]c1ccc(F)cc1-c1cc(C)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O)[OH+]c1ccc(F)cc1-c1cc(F)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O.Cc1c(C)n(-c2cc(F)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(F)cc(-n4c(C)c(C)c5cccnc54)c3O)c2O)c2ncccc12.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(-c3c(C)c(C)cc(C)c3C)c2O)c(O)c(-c2c(C)c(C)cc(C)c2C)c1.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2O)c(O)c(N2c3ccccc3C(C)(C)c3ccccc32)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4[OH+][C@H](C)C[C@H](C)[OH+]c4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(-c6c(C)cc(C)cc6C)cc(-c6c(C)cc(C)cc6C)c5)c4O)c3O)cc(-c3c(C)cc(C)cc3C)c2)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C93H106F2O4.C72H57F3N2O4.C61H56F2N2O4.C51H54F2O4.C47H40F4N4O4.2CH4.10CH3.5Zr/c1-52-29-56(5)84(57(6)30-52)68-38-66(39-69(42-68)85-58(7)31-53(2)32-59(85)8)76-44-72(92(21,22)50-90(15,16)17)46-80(88(76)96)78-48-74(94)25-27-82(78)98-64(13)37-65(14)99-83-28-26-75(95)49-79(83)81-47-73(93(23,24)51-91(18,19)20)45-77(89(81)97)67-40-70(86-60(9)33-54(3)34-61(86)10)43-71(41-67)87-62(11)35-55(4)36-63(87)12;1-4-53(80-65-36-34-50(73)40-57(65)59-38-45(3)39-63(71(59)78)76-61-32-20-18-30-55(61)67(46-22-10-6-11-23-46)69(76)48-26-14-8-15-27-48)44-54(5-2)81-66-37-35-51(74)41-58(66)60-42-52(75)43-64(72(60)79)77-62-33-21-19-31-56(62)68(47-24-12-7-13-25-47)70(77)49-28-16-9-17-29-49;1-36-29-44(58(66)54(31-36)64-50-21-13-9-17-46(50)60(5,6)47-18-10-14-22-51(47)64)42-34-40(62)25-27-56(42)68-38(3)33-39(4)69-57-28-26-41(63)35-43(57)45-30-37(2)32-55(59(45)67)65-52-23-15-11-19-48(52)61(7,8)49-20-12-16-24-53(49)65;1-26-17-42(50(54)44(19-26)48-34(9)28(3)21-29(4)35(48)10)40-24-38(52)13-15-46(40)56-32(7)23-33(8)57-47-16-14-39(53)25-41(47)43-18-27(2)20-45(51(43)55)49-36(11)30(5)22-31(6)37(49)12;1-24(58-42-13-11-30(48)18-36(42)38-20-32(50)22-40(44(38)56)54-28(5)26(3)34-9-7-15-52-46(34)54)17-25(2)59-43-14-12-31(49)19-37(43)39-21-33(51)23-41(45(39)57)55-29(6)27(4)35-10-8-16-53-47(35)55;;;;;;;;;;;;;;;;;/h25-36,38-49,64-65,96-97H,37,50-51H2,1-24H3;6-43,53-54,78-79H,4-5,44H2,1-3H3;9-32,34-35,38-39,66-67H,33H2,1-8H3;13-22,24-25,32-33,54-55H,23H2,1-12H3;7-16,18-25,56-57H,17H2,1-6H3;2*1H4;10*1H3;;;;;/q;;;;;;;10*-1;;;;;/p+10/t64-,65+;53-,54+;38-,39+;32-,33+;24-,25+;;;;;;;;;;;;;;;;;/m.0..................../s1
InChIKeyPPZJLADZIWQTCD-BGCSHIKXSA-X
MW5534.71 g/mol
LogP91.42
Rot. Bonds64

About [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium

[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium (PubChem CID 158039631) has the molecular formula C336H361F13N8O20Zr5 and a molecular weight of 5534.71 g/mol. Its IUPAC name is [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium.

Molecular Properties

Compound Name[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium
PubChem CID158039631
Molecular FormulaC336H361F13N8O20Zr5
Molecular Weight5534.71 g/mol
Exact Mass5524.25
IUPAC Name[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium
SMILESC.C.CC[C@H](C[C@H](CC)[OH+]c1ccc(F)cc1-c1cc(C)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O)[OH+]c1ccc(F)cc1-c1cc(F)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O.Cc1c(C)n(-c2cc(F)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(F)cc(-n4c(C)c(C)c5cccnc54)c3O)c2O)c2ncccc12.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(-c3c(C)c(C)cc(C)c3C)c2O)c(O)c(-c2c(C)c(C)cc(C)c2C)c1.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2O)c(O)c(N2c3ccccc3C(C)(C)c3ccccc32)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4[OH+][C@H](C)C[C@H](C)[OH+]c4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(-c6c(C)cc(C)cc6C)cc(-c6c(C)cc(C)cc6C)c5)c4O)c3O)cc(-c3c(C)cc(C)cc3C)c2)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C93H106F2O4.C72H57F3N2O4.C61H56F2N2O4.C51H54F2O4.C47H40F4N4O4.2CH4.10CH3.5Zr/c1-52-29-56(5)84(57(6)30-52)68-38-66(39-69(42-68)85-58(7)31-53(2)32-59(85)8)76-44-72(92(21,22)50-90(15,16)17)46-80(88(76)96)78-48-74(94)25-27-82(78)98-64(13)37-65(14)99-83-28-26-75(95)49-79(83)81-47-73(93(23,24)51-91(18,19)20)45-77(89(81)97)67-40-70(86-60(9)33-54(3)34-61(86)10)43-71(41-67)87-62(11)35-55(4)36-63(87)12;1-4-53(80-65-36-34-50(73)40-57(65)59-38-45(3)39-63(71(59)78)76-61-32-20-18-30-55(61)67(46-22-10-6-11-23-46)69(76)48-26-14-8-15-27-48)44-54(5-2)81-66-37-35-51(74)41-58(66)60-42-52(75)43-64(72(60)79)77-62-33-21-19-31-56(62)68(47-24-12-7-13-25-47)70(77)49-28-16-9-17-29-49;1-36-29-44(58(66)54(31-36)64-50-21-13-9-17-46(50)60(5,6)47-18-10-14-22-51(47)64)42-34-40(62)25-27-56(42)68-38(3)33-39(4)69-57-28-26-41(63)35-43(57)45-30-37(2)32-55(59(45)67)65-52-23-15-11-19-48(52)61(7,8)49-20-12-16-24-53(49)65;1-26-17-42(50(54)44(19-26)48-34(9)28(3)21-29(4)35(48)10)40-24-38(52)13-15-46(40)56-32(7)23-33(8)57-47-16-14-39(53)25-41(47)43-18-27(2)20-45(51(43)55)49-36(11)30(5)22-31(6)37(49)12;1-24(58-42-13-11-30(48)18-36(42)38-20-32(50)22-40(44(38)56)54-28(5)26(3)34-9-7-15-52-46(34)54)17-25(2)59-43-14-12-31(49)19-37(43)39-21-33(51)23-41(45(39)57)55-29(6)27(4)35-10-8-16-53-47(35)55;;;;;;;;;;;;;;;;;/h25-36,38-49,64-65,96-97H,37,50-51H2,1-24H3;6-43,53-54,78-79H,4-5,44H2,1-3H3;9-32,34-35,38-39,66-67H,33H2,1-8H3;13-22,24-25,32-33,54-55H,23H2,1-12H3;7-16,18-25,56-57H,17H2,1-6H3;2*1H4;10*1H3;;;;;/q;;;;;;;10*-1;;;;;/p+10/t64-,65+;53-,54+;38-,39+;32-,33+;24-,25+;;;;;;;;;;;;;;;;;/m.0..................../s1
InChIKeyPPZJLADZIWQTCD-BGCSHIKXSA-X
XLogP91.42
TPSA382.28 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds64
Heavy Atoms382
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005534.71
LogP ≤ 591.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium with MolForge

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What is the IUPAC name of [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium?
The IUPAC name of [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium (CID 158039631) is [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium.
What is the SMILES notation for [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium?
The canonical SMILES for [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium is C.C.CC[C@H](C[C@H](CC)[OH+]c1ccc(F)cc1-c1cc(C)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O)[OH+]c1ccc(F)cc1-c1cc(F)cc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O.Cc1c(C)n(-c2cc(F)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(F)cc(-n4c(C)c(C)c5cccnc54)c3O)c2O)c2ncccc12.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(-c3c(C)c(C)cc(C)c3C)c2O)c(O)c(-c2c(C)c(C)cc(C)c2C)c1.Cc1cc(-c2cc(F)ccc2[OH+][C@H](C)C[C@H](C)[OH+]c2ccc(F)cc2-c2cc(C)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2O)c(O)c(N2c3ccccc3C(C)(C)c3ccccc32)c1.Cc1cc(C)c(-c2cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4[OH+][C@H](C)C[C@H](C)[OH+]c4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(-c6c(C)cc(C)cc6C)cc(-c6c(C)cc(C)cc6C)c5)c4O)c3O)cc(-c3c(C)cc(C)cc3C)c2)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr].[Zr].
What is the InChIKey of [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium?
The InChIKey is PPZJLADZIWQTCD-BGCSHIKXSA-X. The full InChI is InChI=1S/C93H106F2O4.C72H57F3N2O4.C61H56F2N2O4.C51H54F2O4.C47H40F4N4O4.2CH4.10CH3.5Zr/c1-52-29-56(5)84(57(6)30-52)68-38-66(39-69(42-68)85-58(7)31-53(2)32-59(85)8)76-44-72(92(21,22)50-90(15,16)17)46-80(88(76)96)78-48-74(94)25-27-82(78)98-64(13)37-65(14)99-83-28-26-75(95)49-79(83)81-47-73(93(23,24)51-91(18,19)20)45-77(89(81)97)67-40-70(86-60(9)33-54(3)34-61(86)10)43-71(41-67)87-62(11)35-55(4)36-63(87)12;1-4-53(80-65-36-34-50(73)40-57(65)59-38-45(3)39-63(71(59)78)76-61-32-20-18-30-55(61)67(46-22-10-6-11-23-46)69(76)48-26-14-8-15-27-48)44-54(5-2)81-66-37-35-51(74)41-58(66)60-42-52(75)43-64(72(60)79)77-62-33-21-19-31-56(62)68(47-24-12-7-13-25-47)70(77)49-28-16-9-17-29-49;1-36-29-44(58(66)54(31-36)64-50-21-13-9-17-46(50)60(5,6)47-18-10-14-22-51(47)64)42-34-40(62)25-27-56(42)68-38(3)33-39(4)69-57-28-26-41(63)35-43(57)45-30-37(2)32-55(59(45)67)65-52-23-15-11-19-48(52)61(7,8)49-20-12-16-24-53(49)65;1-26-17-42(50(54)44(19-26)48-34(9)28(3)21-29(4)35(48)10)40-24-38(52)13-15-46(40)56-32(7)23-33(8)57-47-16-14-39(53)25-41(47)43-18-27(2)20-45(51(43)55)49-36(11)30(5)22-31(6)37(49)12;1-24(58-42-13-11-30(48)18-36(42)38-20-32(50)22-40(44(38)56)54-28(5)26(3)34-9-7-15-52-46(34)54)17-25(2)59-43-14-12-31(49)19-37(43)39-21-33(51)23-41(45(39)57)55-29(6)27(4)35-10-8-16-53-47(35)55;;;;;;;;;;;;;;;;;/h25-36,38-49,64-65,96-97H,37,50-51H2,1-24H3;6-43,53-54,78-79H,4-5,44H2,1-3H3;9-32,34-35,38-39,66-67H,33H2,1-8H3;13-22,24-25,32-33,54-55H,23H2,1-12H3;7-16,18-25,56-57H,17H2,1-6H3;2*1H4;10*1H3;;;;;/q;;;;;;;10*-1;;;;;/p+10/t64-,65+;53-,54+;38-,39+;32-,33+;24-,25+;;;;;;;;;;;;;;;;;/m.0..................../s1.
What are the key properties of [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium?
[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium has a molecular weight of 5534.71 g/mol, XLogP of 91.42, 64 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-[3,5-bis(2,4,6-trimethylphenyl)phenyl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;carbanide;[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(9,9-dimethylacridin-10-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(2S,4R)-4-[2-[3-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,3-diphenylindol-1-yl)-5-fluoro-2-hydroxyphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(2,3-diphenylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]oxonio-1-ethylpentyl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,3,5,6-tetramethylphenyl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium is sourced from PubChem (CID 158039631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).