2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))

C268H282F10N12O16Zr4 — CID 158857547

IUPAC2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))
SMILESCc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3O[C@H](C)C[C@H](C)Oc3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc(O[C@@H](C[C@@H](Oc2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c1.Cc1ccc2cccc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4O[C@H](C)C[C@H](C)Oc4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.C61H72N4O4.8CH3.4Zr/c1-38-27-42(5)66(43(6)28-38)74(58-17-13-15-50-21-19-46(9)72-64(50)58)60-33-40(3)31-56(68(60)76)54-36-52(70)23-25-62(54)78-48(11)35-49(12)79-63-26-24-53(71)37-55(63)57-32-41(4)34-61(69(57)77)75(67-44(7)29-39(2)30-45(67)8)59-18-14-16-51-22-20-47(10)73-65(51)59;1-36-21-27-58(48(29-36)50-31-38(3)42-25-23-40(33-52(42)62(50)74)72-54-17-9-5-13-44(54)45-14-6-10-18-55(45)72)76-60(64(66,67)68)35-61(65(69,70)71)77-59-28-22-37(2)30-49(59)51-32-39(4)43-26-24-41(34-53(43)63(51)75)73-56-19-11-7-15-46(56)47-16-8-12-20-57(47)73;1-38-21-23-42-17-15-19-48(58(42)68-38)52-30-44(64(11,12)36-62(5,6)7)32-54(60(52)70)50-34-46(66)25-27-56(50)72-40(3)29-41(4)73-57-28-26-47(67)35-51(57)55-33-45(65(13,14)37-63(8,9)10)31-53(61(55)71)49-20-16-18-43-24-22-39(2)69-59(43)49;1-38-23-25-54(44(27-38)46-30-42(60(11,12)34-58(5,6)7)32-52(56(46)66)64-36-62-48-19-15-17-21-50(48)64)68-40(3)29-41(4)69-55-26-24-39(2)28-45(55)47-31-43(61(13,14)35-59(8,9)10)33-53(57(47)67)65-37-63-49-20-16-18-22-51(49)65;;;;;;;;;;;;/h13-34,36-37,48-49,76-77H,35H2,1-12H3;5-34,60-61,74-75H,35H2,1-4H3;15-28,30-35,40-41,70-71H,29,36-37H2,1-14H3;15-28,30-33,36-37,40-41,66-67H,29,34-35H2,1-14H3;8*1H3;;;;/q;;;;8*-1;4*+2/t48-,49+;60-,61+;2*40-,41+;;;;;;;;;;;;
InChIKeyGSIDYQCILSIKHV-GGRODPBXSA-N
MW4482.15 g/mol
LogP73.51
Rot. Bonds52

About 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))

2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) (PubChem CID 158857547) has the molecular formula C268H282F10N12O16Zr4 and a molecular weight of 4482.15 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)).

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))
PubChem CID158857547
Molecular FormulaC268H282F10N12O16Zr4
Molecular Weight4482.15 g/mol
Exact Mass4473.77
IUPAC Name2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))
SMILESCc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3O[C@H](C)C[C@H](C)Oc3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc(O[C@@H](C[C@@H](Oc2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c1.Cc1ccc2cccc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4O[C@H](C)C[C@H](C)Oc4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.C61H72N4O4.8CH3.4Zr/c1-38-27-42(5)66(43(6)28-38)74(58-17-13-15-50-21-19-46(9)72-64(50)58)60-33-40(3)31-56(68(60)76)54-36-52(70)23-25-62(54)78-48(11)35-49(12)79-63-26-24-53(71)37-55(63)57-32-41(4)34-61(69(57)77)75(67-44(7)29-39(2)30-45(67)8)59-18-14-16-51-22-20-47(10)73-65(51)59;1-36-21-27-58(48(29-36)50-31-38(3)42-25-23-40(33-52(42)62(50)74)72-54-17-9-5-13-44(54)45-14-6-10-18-55(45)72)76-60(64(66,67)68)35-61(65(69,70)71)77-59-28-22-37(2)30-49(59)51-32-39(4)43-26-24-41(34-53(43)63(51)75)73-56-19-11-7-15-46(56)47-16-8-12-20-57(47)73;1-38-21-23-42-17-15-19-48(58(42)68-38)52-30-44(64(11,12)36-62(5,6)7)32-54(60(52)70)50-34-46(66)25-27-56(50)72-40(3)29-41(4)73-57-28-26-47(67)35-51(57)55-33-45(65(13,14)37-63(8,9)10)31-53(61(55)71)49-20-16-18-43-24-22-39(2)69-59(43)49;1-38-23-25-54(44(27-38)46-30-42(60(11,12)34-58(5,6)7)32-52(56(46)66)64-36-62-48-19-15-17-21-50(48)64)68-40(3)29-41(4)69-55-26-24-39(2)28-45(55)47-31-43(61(13,14)35-59(8,9)10)33-53(57(47)67)65-37-63-49-20-16-18-22-51(49)65;;;;;;;;;;;;/h13-34,36-37,48-49,76-77H,35H2,1-12H3;5-34,60-61,74-75H,35H2,1-4H3;15-28,30-35,40-41,70-71H,29,36-37H2,1-14H3;15-28,30-33,36-37,40-41,66-67H,29,34-35H2,1-14H3;8*1H3;;;;/q;;;;8*-1;4*+2/t48-,49+;60-,61+;2*40-,41+;;;;;;;;;;;;
InChIKeyGSIDYQCILSIKHV-GGRODPBXSA-N
XLogP73.51
TPSA339.22 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms310
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004482.15
LogP ≤ 573.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))?
The IUPAC name of 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) (CID 158857547) is 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)).
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) is Cc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3O[C@H](C)C[C@H](C)Oc3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc(O[C@@H](C[C@@H](Oc2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3cnc4ccccc43)c2O)c1.Cc1ccc2cccc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)ccc4O[C@H](C)C[C@H](C)Oc4ccc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2].
What is the InChIKey of 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))?
The InChIKey is GSIDYQCILSIKHV-GGRODPBXSA-N. The full InChI is InChI=1S/C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.C61H72N4O4.8CH3.4Zr/c1-38-27-42(5)66(43(6)28-38)74(58-17-13-15-50-21-19-46(9)72-64(50)58)60-33-40(3)31-56(68(60)76)54-36-52(70)23-25-62(54)78-48(11)35-49(12)79-63-26-24-53(71)37-55(63)57-32-41(4)34-61(69(57)77)75(67-44(7)29-39(2)30-45(67)8)59-18-14-16-51-22-20-47(10)73-65(51)59;1-36-21-27-58(48(29-36)50-31-38(3)42-25-23-40(33-52(42)62(50)74)72-54-17-9-5-13-44(54)45-14-6-10-18-55(45)72)76-60(64(66,67)68)35-61(65(69,70)71)77-59-28-22-37(2)30-49(59)51-32-39(4)43-26-24-41(34-53(43)63(51)75)73-56-19-11-7-15-46(56)47-16-8-12-20-57(47)73;1-38-21-23-42-17-15-19-48(58(42)68-38)52-30-44(64(11,12)36-62(5,6)7)32-54(60(52)70)50-34-46(66)25-27-56(50)72-40(3)29-41(4)73-57-28-26-47(67)35-51(57)55-33-45(65(13,14)37-63(8,9)10)31-53(61(55)71)49-20-16-18-43-24-22-39(2)69-59(43)49;1-38-23-25-54(44(27-38)46-30-42(60(11,12)34-58(5,6)7)32-52(56(46)66)64-36-62-48-19-15-17-21-50(48)64)68-40(3)29-41(4)69-55-26-24-39(2)28-45(55)47-31-43(61(13,14)35-59(8,9)10)33-53(57(47)67)65-37-63-49-20-16-18-22-51(49)65;;;;;;;;;;;;/h13-34,36-37,48-49,76-77H,35H2,1-12H3;5-34,60-61,74-75H,35H2,1-4H3;15-28,30-35,40-41,70-71H,29,36-37H2,1-14H3;15-28,30-33,36-37,40-41,66-67H,29,34-35H2,1-14H3;8*1H3;;;;/q;;;;8*-1;4*+2/t48-,49+;60-,61+;2*40-,41+;;;;;;;;;;;;.
What are the key properties of 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+))?
2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) has a molecular weight of 4482.15 g/mol, XLogP of 73.51, 52 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(benzimidazol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;7-carbazol-9-yl-2-[2-[(2R,4S)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenoxy]-1,1,1,5,5,5-hexafluoropentan-2-yl]oxy-5-methylphenyl]-4-methylnaphthalen-1-ol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-6-(2-methylquinolin-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenol;tetrakis(zirconium(2+)) is sourced from PubChem (CID 158857547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).