[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium

C335H430ClF7Hf2IN8O16Zr2- — CID 158595157

IUPAC[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium
SMILESCCC[I-]c1ccc2c3ccc(C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4[OH+][C@@H](C)C[C@@H](C)[OH+]c4c(C)cc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)C)ccc6c6ccc(C(C)C)cc65)c4O)c3O)c2c1.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4c(c5c3CCCC5)CCCC4)c2O)c1[OH+][C@H](C)C[C@@H](C)[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1[OH+]CCC[OH+]c1ccc(Cl)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)C)ccc4c4ccc(C(C)C)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Zr].[Zr]
InChIInChI=1S/C84H102ClFN2O4.C83H100F2IN2O4.C82H98F2N2O4.C78H98F2N2O4.8CH3.2Hf.2Zr/c1-50-37-58(86)47-66(65-39-56(84(22,23)49-78(5,6)7)45-72(75(65)90)88-69-42-53(81(14,15)16)27-32-61(69)62-33-28-54(43-70(62)88)82(17,18)19)76(50)92-36-24-35-91-73-34-29-57(85)46-63(73)64-38-55(83(20,21)48-77(2,3)4)44-71(74(64)89)87-67-40-51(79(8,9)10)25-30-59(67)60-31-26-52(41-68(60)87)80(11,12)13;1-22-31-86-61-26-30-65-64-29-25-56(49(6)7)37-72(64)88(73(65)44-61)75-41-58(83(20,21)46-81(15,16)17)39-67(77(75)90)69-43-60(85)33-51(9)79(69)92-53(11)34-52(10)91-78-50(8)32-59(84)42-68(78)66-38-57(82(18,19)45-80(12,13)14)40-74(76(66)89)87-70-35-54(47(2)3)23-27-62(70)63-28-24-55(48(4)5)36-71(63)87;1-47(2)53-23-27-61-62-28-24-54(48(3)4)36-70(62)85(69(61)35-53)73-41-57(81(17,18)45-79(11,12)13)39-65(75(73)87)67-43-59(83)33-51(9)77(67)89-31-21-22-32-90-78-52(10)34-60(84)44-68(78)66-40-58(82(19,20)46-80(14,15)16)42-74(76(66)88)86-71-37-55(49(5)6)25-29-63(71)64-30-26-56(50(7)8)38-72(64)86;1-45(2)50-28-30-58-59-31-29-51(76(13,14)15)38-67(59)82(66(58)35-50)69-40-53(78(18,19)44-75(10,11)12)37-61(71(69)84)63-42-55(80)33-47(4)73(63)86-49(6)34-48(5)85-72-46(3)32-54(79)41-62(72)60-36-52(77(16,17)43-74(7,8)9)39-68(70(60)83)81-64-26-22-20-24-56(64)57-25-21-23-27-65(57)81;;;;;;;;;;;;/h25-34,37-47,89-90H,24,35-36,48-49H2,1-23H3;23-30,32-33,35-44,47-49,52-53,89-90H,22,31,34,45-46H2,1-21H3;23-30,33-44,47-50,87-88H,21-22,31-32,45-46H2,1-20H3;28-33,35-42,45,48-49,83-84H,20-27,34,43-44H2,1-19H3;8*1H3;;;;/q;-1;;;8*-1;;;;/p+8/t;52-,53+;;48-,49-;;;;;;;;;;;;/m.1.1............/s1
InChIKeyKQUVGZDTUQUOSB-WXUGGVMSSA-V
MW5659.94 g/mol
LogP92.42
Rot. Bonds68

About [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium

[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium (PubChem CID 158595157) has the molecular formula C335H430ClF7Hf2IN8O16Zr2- and a molecular weight of 5659.94 g/mol. Its IUPAC name is [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium.

Molecular Properties

Compound Name[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium
PubChem CID158595157
Molecular FormulaC335H430ClF7Hf2IN8O16Zr2-
Molecular Weight5659.94 g/mol
Exact Mass5655.87
IUPAC Name[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium
SMILESCCC[I-]c1ccc2c3ccc(C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4[OH+][C@@H](C)C[C@@H](C)[OH+]c4c(C)cc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)C)ccc6c6ccc(C(C)C)cc65)c4O)c3O)c2c1.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4c(c5c3CCCC5)CCCC4)c2O)c1[OH+][C@H](C)C[C@@H](C)[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1[OH+]CCC[OH+]c1ccc(Cl)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)C)ccc4c4ccc(C(C)C)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Zr].[Zr]
InChIInChI=1S/C84H102ClFN2O4.C83H100F2IN2O4.C82H98F2N2O4.C78H98F2N2O4.8CH3.2Hf.2Zr/c1-50-37-58(86)47-66(65-39-56(84(22,23)49-78(5,6)7)45-72(75(65)90)88-69-42-53(81(14,15)16)27-32-61(69)62-33-28-54(43-70(62)88)82(17,18)19)76(50)92-36-24-35-91-73-34-29-57(85)46-63(73)64-38-55(83(20,21)48-77(2,3)4)44-71(74(64)89)87-67-40-51(79(8,9)10)25-30-59(67)60-31-26-52(41-68(60)87)80(11,12)13;1-22-31-86-61-26-30-65-64-29-25-56(49(6)7)37-72(64)88(73(65)44-61)75-41-58(83(20,21)46-81(15,16)17)39-67(77(75)90)69-43-60(85)33-51(9)79(69)92-53(11)34-52(10)91-78-50(8)32-59(84)42-68(78)66-38-57(82(18,19)45-80(12,13)14)40-74(76(66)89)87-70-35-54(47(2)3)23-27-62(70)63-28-24-55(48(4)5)36-71(63)87;1-47(2)53-23-27-61-62-28-24-54(48(3)4)36-70(62)85(69(61)35-53)73-41-57(81(17,18)45-79(11,12)13)39-65(75(73)87)67-43-59(83)33-51(9)77(67)89-31-21-22-32-90-78-52(10)34-60(84)44-68(78)66-40-58(82(19,20)46-80(14,15)16)42-74(76(66)88)86-71-37-55(49(5)6)25-29-63(71)64-30-26-56(50(7)8)38-72(64)86;1-45(2)50-28-30-58-59-31-29-51(76(13,14)15)38-67(59)82(66(58)35-50)69-40-53(78(18,19)44-75(10,11)12)37-61(71(69)84)63-42-55(80)33-47(4)73(63)86-49(6)34-48(5)85-72-46(3)32-54(79)41-62(72)60-36-52(77(16,17)43-74(7,8)9)39-68(70(60)83)81-64-26-22-20-24-56(64)57-25-21-23-27-65(57)81;;;;;;;;;;;;/h25-34,37-47,89-90H,24,35-36,48-49H2,1-23H3;23-30,32-33,35-44,47-49,52-53,89-90H,22,31,34,45-46H2,1-21H3;23-30,33-44,47-50,87-88H,21-22,31-32,45-46H2,1-20H3;28-33,35-42,45,48-49,83-84H,20-27,34,43-44H2,1-19H3;8*1H3;;;;/q;-1;;;8*-1;;;;/p+8/t;52-,53+;;48-,49-;;;;;;;;;;;;/m.1.1............/s1
InChIKeyKQUVGZDTUQUOSB-WXUGGVMSSA-V
XLogP92.42
TPSA303.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds68
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005659.94
LogP ≤ 592.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium with MolForge

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What is the IUPAC name of [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium?
The IUPAC name of [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium (CID 158595157) is [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium.
What is the SMILES notation for [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium?
The canonical SMILES for [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium is CCC[I-]c1ccc2c3ccc(C(C)C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4[OH+][C@@H](C)C[C@@H](C)[OH+]c4c(C)cc(F)cc4-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)C)ccc6c6ccc(C(C)C)cc65)c4O)c3O)c2c1.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4c(c5c3CCCC5)CCCC4)c2O)c1[OH+][C@H](C)C[C@@H](C)[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1[OH+]CCC[OH+]c1ccc(Cl)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)C)ccc4c4ccc(C(C)C)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)C)ccc3c3ccc(C(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Zr].[Zr].
What is the InChIKey of [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium?
The InChIKey is KQUVGZDTUQUOSB-WXUGGVMSSA-V. The full InChI is InChI=1S/C84H102ClFN2O4.C83H100F2IN2O4.C82H98F2N2O4.C78H98F2N2O4.8CH3.2Hf.2Zr/c1-50-37-58(86)47-66(65-39-56(84(22,23)49-78(5,6)7)45-72(75(65)90)88-69-42-53(81(14,15)16)27-32-61(69)62-33-28-54(43-70(62)88)82(17,18)19)76(50)92-36-24-35-91-73-34-29-57(85)46-63(73)64-38-55(83(20,21)48-77(2,3)4)44-71(74(64)89)87-67-40-51(79(8,9)10)25-30-59(67)60-31-26-52(41-68(60)87)80(11,12)13;1-22-31-86-61-26-30-65-64-29-25-56(49(6)7)37-72(64)88(73(65)44-61)75-41-58(83(20,21)46-81(15,16)17)39-67(77(75)90)69-43-60(85)33-51(9)79(69)92-53(11)34-52(10)91-78-50(8)32-59(84)42-68(78)66-38-57(82(18,19)45-80(12,13)14)40-74(76(66)89)87-70-35-54(47(2)3)23-27-62(70)63-28-24-55(48(4)5)36-71(63)87;1-47(2)53-23-27-61-62-28-24-54(48(3)4)36-70(62)85(69(61)35-53)73-41-57(81(17,18)45-79(11,12)13)39-65(75(73)87)67-43-59(83)33-51(9)77(67)89-31-21-22-32-90-78-52(10)34-60(84)44-68(78)66-40-58(82(19,20)46-80(14,15)16)42-74(76(66)88)86-71-37-55(49(5)6)25-29-63(71)64-30-26-56(50(7)8)38-72(64)86;1-45(2)50-28-30-58-59-31-29-51(76(13,14)15)38-67(59)82(66(58)35-50)69-40-53(78(18,19)44-75(10,11)12)37-61(71(69)84)63-42-55(80)33-47(4)73(63)86-49(6)34-48(5)85-72-46(3)32-54(79)41-62(72)60-36-52(77(16,17)43-74(7,8)9)39-68(70(60)83)81-64-26-22-20-24-56(64)57-25-21-23-27-65(57)81;;;;;;;;;;;;/h25-34,37-47,89-90H,24,35-36,48-49H2,1-23H3;23-30,32-33,35-44,47-49,52-53,89-90H,22,31,34,45-46H2,1-21H3;23-30,33-44,47-50,87-88H,21-22,31-32,45-46H2,1-20H3;28-33,35-42,45,48-49,83-84H,20-27,34,43-44H2,1-19H3;8*1H3;;;;/q;-1;;;8*-1;;;;/p+8/t;52-,53+;;48-,49-;;;;;;;;;;;;/m.1.1............/s1.
What are the key properties of [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium?
[2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium has a molecular weight of 5659.94 g/mol, XLogP of 92.42, 68 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-tert-butyl-7-propan-2-ylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-3-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;carbanide;[4-chloro-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopropyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;[2-[3-[2,7-di(propan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2R,4S)-4-[4-fluoro-2-[2-hydroxy-3-(2-propan-2-yl-7-propyliodanuidylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium;zirconium is sourced from PubChem (CID 158595157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).