carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium

C279H295F11N10O16Zr4 — CID 158418511

IUPACcarbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium
SMILESCc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc([OH+][C@@H](C[C@@H]([OH+]c2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc([OH+][C@H]2CC[C@@H]([OH+]c3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2cccc(-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(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C72H77FN2O4.C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.8CH3.4Zr/c1-41-16-28-65(55(30-41)57-31-42(2)33-63(67(57)76)74-59-24-17-44(69(4,5)6)35-51(59)52-36-45(70(7,8)9)18-25-60(52)74)78-49-22-23-50(40-49)79-66-29-21-48(73)39-56(66)58-32-43(3)34-64(68(58)77)75-61-26-19-46(71(10,11)12)37-53(61)54-38-47(72(13,14)15)20-27-62(54)75;1-38-27-42(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;;;;;;;;;;;;/h16-21,24-39,49-50,76-77H,22-23,40H2,1-15H3;13-34,36-37,48-49,76-77H,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;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t49-,50+;48-,49+;60-,61+;40-,41+;;;;;;;;;;;;/m0.............../s1
InChIKeyWFMCPBFEXFLIJC-WPEPHEAUSA-V
MW4618.36 g/mol
LogP75.89
Rot. Bonds46

About carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium

carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium (PubChem CID 158418511) has the molecular formula C279H295F11N10O16Zr4 and a molecular weight of 4618.36 g/mol. Its IUPAC name is carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium.

Molecular Properties

Compound Namecarbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium
PubChem CID158418511
Molecular FormulaC279H295F11N10O16Zr4
Molecular Weight4618.36 g/mol
Exact Mass4609.86
IUPAC Namecarbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium
SMILESCc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc([OH+][C@@H](C[C@@H]([OH+]c2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc([OH+][C@H]2CC[C@@H]([OH+]c3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2cccc(-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(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/C72H77FN2O4.C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.8CH3.4Zr/c1-41-16-28-65(55(30-41)57-31-42(2)33-63(67(57)76)74-59-24-17-44(69(4,5)6)35-51(59)52-36-45(70(7,8)9)18-25-60(52)74)78-49-22-23-50(40-49)79-66-29-21-48(73)39-56(66)58-32-43(3)34-64(68(58)77)75-61-26-19-46(71(10,11)12)37-53(61)54-38-47(72(13,14)15)20-27-62(54)75;1-38-27-42(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;;;;;;;;;;;;/h16-21,24-39,49-50,76-77H,22-23,40H2,1-15H3;13-34,36-37,48-49,76-77H,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;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t49-,50+;48-,49+;60-,61+;40-,41+;;;;;;;;;;;;/m0.............../s1
InChIKeyWFMCPBFEXFLIJC-WPEPHEAUSA-V
XLogP75.89
TPSA342.00 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004618.36
LogP ≤ 575.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium with MolForge

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Related Compounds

CID 157692293
CID 157692293
CID 157692408
CID 157692408
CID 157692992
CID 157692992
CID 157736388
CID 157736388
CID 158514673
CID 158514673
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))
CID 158655501
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
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4R)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(3,5-ditert-butylphenyl)-6-[2-[(2S,4R)-4-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;2-(2,3-dimethylindol-1-yl)-6-[2-[(2S,4R)-4-[2-[3-(2,3-dimethylindol-1-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;hafnium;titanium(2+);bis(zirconium(2+))
CID 158908626
[2-[3-(1-adamantyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2R,4S)-4-[2-[3-(1-adamantyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[2-[5-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-fluorophenyl]-[(1S,3R)-3-[2-[5-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-fluorophenyl]oxoniocyclohexyl]oxidanium;carbanide;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenyl]-[(2R,5S)-5-[2-[3-carbazol-9-yl-2-hydroxy-5-(trifluoromethyl)phenyl]-4-fluorophenyl]oxoniohexan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methoxyphenyl]-[(1S)-1-[[(1S)-1-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]oxonioethyl]-dimethylsilyl]ethyl]oxidanium;zirconium
CID 159167991
[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]-[(2S,4R)-4-[2-[2-hydroxy-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(3-tert-butyl-2-methylindol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]-[(1S,3R)-1-ethyl-3-[2-[2-hydroxy-3-(2-methyl-3-phenylindol-1-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]oxoniopentyl]oxidanium;carbanide;[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenyl]-[(2S,5R)-5-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenyl]oxoniohexan-2-yl]oxidanium;[2-[2-hydroxy-3-phenanthren-9-yl-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2R,4S)-4-[2-[2-hydroxy-3-phenanthren-9-yl-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;methane;zirconium
CID 159398372
carbanide;2-[2-[(2R,4R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluoro-N-methylanilino]pentan-2-yl]-methylamino]-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-4-(trifluoromethyl)anilino]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(1R,3S)-3-[4-fluoro-2-[3-(4-fluoro-N-(4-fluorophenyl)anilino)-2-hydroxy-5-methylphenyl]phenoxy]cyclopentyl]oxyphenyl]-6-(4-fluoro-N-(4-fluorophenyl)anilino)-4-methylphenol;bis(zirconium(2+));zirconium(3+);zirconium(4+)
CID 159673773
[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]-[(2S,4R)-4-[2-[2-hydroxy-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(3-tert-butyl-2-methylindol-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]-[(1S,3R)-1-ethyl-3-[2-[2-hydroxy-3-(2-methyl-3-phenylindol-1-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methylphenyl]oxoniopentyl]oxidanium;carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;zirconium
CID 159989444

Frequently Asked Questions

What is the IUPAC name of carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium?
The IUPAC name of carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium (CID 158418511) is carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium.
What is the SMILES notation for carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium?
The canonical SMILES for carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium is Cc1cc(C)c(N(c2cc(C)cc(-c3cc(F)ccc3[OH+][C@H](C)C[C@H](C)[OH+]c3ccc(F)cc3-c3cc(C)cc(N(c4c(C)cc(C)cc4C)c4cccc5ccc(C)nc45)c3O)c2O)c2cccc3ccc(C)nc23)c(C)c1.Cc1ccc([OH+][C@@H](C[C@@H]([OH+]c2ccc(C)cc2-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)C(F)(F)F)C(F)(F)F)c(-c2cc(C)c3ccc(-n4c5ccccc5c5ccccc54)cc3c2O)c1.Cc1ccc([OH+][C@H]2CC[C@@H]([OH+]c3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.Cc1ccc2cccc(-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(-c5cccc6ccc(C)nc56)c4O)c3O)c2n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr].[Zr].[Zr].[Zr].
What is the InChIKey of carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium?
The InChIKey is WFMCPBFEXFLIJC-WPEPHEAUSA-V. The full InChI is InChI=1S/C72H77FN2O4.C69H66F2N4O4.C65H48F6N2O4.C65H72F2N2O4.8CH3.4Zr/c1-41-16-28-65(55(30-41)57-31-42(2)33-63(67(57)76)74-59-24-17-44(69(4,5)6)35-51(59)52-36-45(70(7,8)9)18-25-60(52)74)78-49-22-23-50(40-49)79-66-29-21-48(73)39-56(66)58-32-43(3)34-64(68(58)77)75-61-26-19-46(71(10,11)12)37-53(61)54-38-47(72(13,14)15)20-27-62(54)75;1-38-27-42(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;;;;;;;;;;;;/h16-21,24-39,49-50,76-77H,22-23,40H2,1-15H3;13-34,36-37,48-49,76-77H,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;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t49-,50+;48-,49+;60-,61+;40-,41+;;;;;;;;;;;;/m0.............../s1.
What are the key properties of carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium?
carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium has a molecular weight of 4618.36 g/mol, XLogP of 75.89, 46 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]-[(2S,4R)-4-[2-(7-carbazol-9-yl-1-hydroxy-4-methylnaphthalen-2-yl)-4-methylphenyl]oxonio-1,1,1,5,5,5-hexafluoropentan-2-yl]oxidanium;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenyl]-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenyl]oxoniocyclopentyl]oxidanium;[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-3-(2-methylquinolin-8-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]-[(2S,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-(2,4,6-trimethyl-N-(2-methylquinolin-8-yl)anilino)phenyl]phenyl]oxoniopentan-2-yl]oxidanium;zirconium is sourced from PubChem (CID 158418511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).