[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium

C363H442ClF11Hf4N8O16 — CID 157113583

IUPAC[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(F)c2[OH+]CCC[OH+]c2c(Cl)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.C[C@H](C[C@@H](C)[OH+]c1c(F)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[OH+]c1c(F)cc(F)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(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(-c4cccc(C(C)C)c4)ccc3c3ccc(-c4cccc(C(C)C)c4)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+][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)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C100H102F2N2O4.C87H108F2N2O4.C85H102F4N2O4.C83H98ClF3N2O4.8CH3.4Hf/c1-61(2)67-31-25-33-69(47-67)73-37-41-81-82-42-38-74(70-34-26-32-68(48-70)62(3)4)52-90(82)104(89(81)51-73)92-56-76(100(15,16)60-98(10,11)12)54-84(94(92)106)86-58-78(102)46-64(6)96(86)108-44-24-23-43-107-95-63(5)45-77(101)57-85(95)83-53-75(99(13,14)59-97(7,8)9)55-91(93(83)105)103-87-49-71(65-27-19-17-20-28-65)35-39-79(87)80-40-36-72(50-88(80)103)66-29-21-18-22-30-66;1-50-35-60(88)46-68(66-38-58(86(23,24)48-80(5,6)7)44-74(76(66)92)90-70-40-54(82(11,12)13)27-31-62(70)63-32-28-55(41-71(63)90)83(14,15)16)78(50)94-52(3)37-53(4)95-79-51(2)36-61(89)47-69(79)67-39-59(87(25,26)49-81(8,9)10)45-75(77(67)93)91-72-42-56(84(17,18)19)29-33-64(72)65-34-30-57(43-73(65)91)85(20,21)22;1-48(94-76-64(42-56(86)44-66(76)88)62-34-54(84(21,22)46-78(3,4)5)40-72(74(62)92)90-68-36-50(80(9,10)11)25-29-58(68)59-30-26-51(37-69(59)90)81(12,13)14)33-49(2)95-77-65(43-57(87)45-67(77)89)63-35-55(85(23,24)47-79(6,7)8)41-73(75(63)93)91-70-38-52(82(15,16)17)27-31-60(70)61-32-28-53(39-71(61)91)83(18,19)20;1-76(2,3)46-82(19,20)52-34-60(72(90)70(40-52)88-66-36-48(78(7,8)9)24-28-56(66)57-29-25-49(37-67(57)88)79(10,11)12)62-42-54(85)44-64(84)74(62)92-32-23-33-93-75-63(43-55(86)45-65(75)87)61-35-53(83(21,22)47-77(4,5)6)41-71(73(61)91)89-68-38-50(80(13,14)15)26-30-58(68)59-31-27-51(39-69(59)89)81(16,17)18;;;;;;;;;;;;/h17-22,25-42,45-58,61-62,105-106H,23-24,43-44,59-60H2,1-16H3;27-36,38-47,52-53,92-93H,37,48-49H2,1-26H3;25-32,34-45,48-49,92-93H,33,46-47H2,1-24H3;24-31,34-45,90-91H,23,32-33,46-47H2,1-22H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t;52-,53+;48-,49-;;;;;;;;;;;;;/m..1............./s1
InChIKeyYYYMWLOZSWYQHT-PNGJOQPLSA-V
MW6131.96 g/mol
LogP103.94
Rot. Bonds63

About [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium

[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium (PubChem CID 157113583) has the molecular formula C363H442ClF11Hf4N8O16 and a molecular weight of 6131.96 g/mol. Its IUPAC name is [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium.

Molecular Properties

Compound Name[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium
PubChem CID157113583
Molecular FormulaC363H442ClF11Hf4N8O16
Molecular Weight6131.96 g/mol
Exact Mass6133.14
IUPAC Name[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(F)c2[OH+]CCC[OH+]c2c(Cl)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.C[C@H](C[C@@H](C)[OH+]c1c(F)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[OH+]c1c(F)cc(F)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(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(-c4cccc(C(C)C)c4)ccc3c3ccc(-c4cccc(C(C)C)c4)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+][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)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C100H102F2N2O4.C87H108F2N2O4.C85H102F4N2O4.C83H98ClF3N2O4.8CH3.4Hf/c1-61(2)67-31-25-33-69(47-67)73-37-41-81-82-42-38-74(70-34-26-32-68(48-70)62(3)4)52-90(82)104(89(81)51-73)92-56-76(100(15,16)60-98(10,11)12)54-84(94(92)106)86-58-78(102)46-64(6)96(86)108-44-24-23-43-107-95-63(5)45-77(101)57-85(95)83-53-75(99(13,14)59-97(7,8)9)55-91(93(83)105)103-87-49-71(65-27-19-17-20-28-65)35-39-79(87)80-40-36-72(50-88(80)103)66-29-21-18-22-30-66;1-50-35-60(88)46-68(66-38-58(86(23,24)48-80(5,6)7)44-74(76(66)92)90-70-40-54(82(11,12)13)27-31-62(70)63-32-28-55(41-71(63)90)83(14,15)16)78(50)94-52(3)37-53(4)95-79-51(2)36-61(89)47-69(79)67-39-59(87(25,26)49-81(8,9)10)45-75(77(67)93)91-72-42-56(84(17,18)19)29-33-64(72)65-34-30-57(43-73(65)91)85(20,21)22;1-48(94-76-64(42-56(86)44-66(76)88)62-34-54(84(21,22)46-78(3,4)5)40-72(74(62)92)90-68-36-50(80(9,10)11)25-29-58(68)59-30-26-51(37-69(59)90)81(12,13)14)33-49(2)95-77-65(43-57(87)45-67(77)89)63-35-55(85(23,24)47-79(6,7)8)41-73(75(63)93)91-70-38-52(82(15,16)17)27-31-60(70)61-32-28-53(39-71(61)91)83(18,19)20;1-76(2,3)46-82(19,20)52-34-60(72(90)70(40-52)88-66-36-48(78(7,8)9)24-28-56(66)57-29-25-49(37-67(57)88)79(10,11)12)62-42-54(85)44-64(84)74(62)92-32-23-33-93-75-63(43-55(86)45-65(75)87)61-35-53(83(21,22)47-77(4,5)6)41-71(73(61)91)89-68-38-50(80(13,14)15)26-30-58(68)59-31-27-51(39-69(59)89)81(16,17)18;;;;;;;;;;;;/h17-22,25-42,45-58,61-62,105-106H,23-24,43-44,59-60H2,1-16H3;27-36,38-47,52-53,92-93H,37,48-49H2,1-26H3;25-32,34-45,48-49,92-93H,33,46-47H2,1-24H3;24-31,34-45,90-91H,23,32-33,46-47H2,1-22H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t;52-,53+;48-,49-;;;;;;;;;;;;;/m..1............./s1
InChIKeyYYYMWLOZSWYQHT-PNGJOQPLSA-V
XLogP103.94
TPSA303.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds63
Heavy Atoms403
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006131.96
LogP ≤ 5103.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium with MolForge

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What is the IUPAC name of [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium?
The IUPAC name of [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium (CID 157113583) is [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium.
What is the SMILES notation for [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium?
The canonical SMILES for [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium is CC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(F)c2[OH+]CCC[OH+]c2c(Cl)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.C[C@H](C[C@@H](C)[OH+]c1c(F)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)[OH+]c1c(F)cc(F)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(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2O)c1[OH+]CCCC[OH+]c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(-c4cccc(C(C)C)c4)ccc3c3ccc(-c4cccc(C(C)C)c4)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+][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)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf].
What is the InChIKey of [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium?
The InChIKey is YYYMWLOZSWYQHT-PNGJOQPLSA-V. The full InChI is InChI=1S/C100H102F2N2O4.C87H108F2N2O4.C85H102F4N2O4.C83H98ClF3N2O4.8CH3.4Hf/c1-61(2)67-31-25-33-69(47-67)73-37-41-81-82-42-38-74(70-34-26-32-68(48-70)62(3)4)52-90(82)104(89(81)51-73)92-56-76(100(15,16)60-98(10,11)12)54-84(94(92)106)86-58-78(102)46-64(6)96(86)108-44-24-23-43-107-95-63(5)45-77(101)57-85(95)83-53-75(99(13,14)59-97(7,8)9)55-91(93(83)105)103-87-49-71(65-27-19-17-20-28-65)35-39-79(87)80-40-36-72(50-88(80)103)66-29-21-18-22-30-66;1-50-35-60(88)46-68(66-38-58(86(23,24)48-80(5,6)7)44-74(76(66)92)90-70-40-54(82(11,12)13)27-31-62(70)63-32-28-55(41-71(63)90)83(14,15)16)78(50)94-52(3)37-53(4)95-79-51(2)36-61(89)47-69(79)67-39-59(87(25,26)49-81(8,9)10)45-75(77(67)93)91-72-42-56(84(17,18)19)29-33-64(72)65-34-30-57(43-73(65)91)85(20,21)22;1-48(94-76-64(42-56(86)44-66(76)88)62-34-54(84(21,22)46-78(3,4)5)40-72(74(62)92)90-68-36-50(80(9,10)11)25-29-58(68)59-30-26-51(37-69(59)90)81(12,13)14)33-49(2)95-77-65(43-57(87)45-67(77)89)63-35-55(85(23,24)47-79(6,7)8)41-73(75(63)93)91-70-38-52(82(15,16)17)27-31-60(70)61-32-28-53(39-71(61)91)83(18,19)20;1-76(2,3)46-82(19,20)52-34-60(72(90)70(40-52)88-66-36-48(78(7,8)9)24-28-56(66)57-29-25-49(37-67(57)88)79(10,11)12)62-42-54(85)44-64(84)74(62)92-32-23-33-93-75-63(43-55(86)45-65(75)87)61-35-53(83(21,22)47-77(4,5)6)41-71(73(61)91)89-68-38-50(80(13,14)15)26-30-58(68)59-31-27-51(39-69(59)89)81(16,17)18;;;;;;;;;;;;/h17-22,25-42,45-58,61-62,105-106H,23-24,43-44,59-60H2,1-16H3;27-36,38-47,52-53,92-93H,37,48-49H2,1-26H3;25-32,34-45,48-49,92-93H,33,46-47H2,1-24H3;24-31,34-45,90-91H,23,32-33,46-47H2,1-22H3;8*1H3;;;;/q;;;;8*-1;;;;/p+8/t;52-,53+;48-,49-;;;;;;;;;;;;;/m..1............./s1.
What are the key properties of [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium?
[2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium has a molecular weight of 6131.96 g/mol, XLogP of 103.94, 63 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2,7-bis(3-propan-2-ylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[2-[3-(2,7-diphenylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniobutyl]oxidanium;carbanide;[2-chloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenyl]-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopropyl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]-[(2R,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenyl]oxoniopentan-2-yl]oxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[(2S,4R)-4-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]oxoniopentan-2-yl]oxidanium;hafnium is sourced from PubChem (CID 157113583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).