carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium

C355H460F8Hf4N8O16-8 — CID 159413310

IUPACcarbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium
SMILES[CH2-][O+](CC(C)C(C)C[O+]([CH2-])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)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.[CH2-][O+](CCC(C)[O+]([CH2-])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)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.[CH2-][O+](CCC[O+]([CH2-])c1c(CC)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)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.[CH2-][O+](c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3c(c4c2CCCC4)CCCC3)c1O)C1CCC([O+]([CH2-])c2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C90H114F2N2O4.2C88H110F2N2O4.C81H102F2N2O4.8CH3.4Hf/c1-53-37-63(91)47-71(69-39-61(89(23,24)51-83(5,6)7)45-77(79(69)95)93-73-41-57(85(11,12)13)29-33-65(73)66-34-30-58(42-74(66)93)86(14,15)16)81(53)97(27)49-55(3)56(4)50-98(28)82-54(2)38-64(92)48-72(82)70-40-62(90(25,26)52-84(8,9)10)46-78(80(70)96)94-75-43-59(87(17,18)19)31-35-67(75)68-36-32-60(44-76(68)94)88(20,21)22;1-52-38-61(89)48-69(67-40-59(87(22,23)50-81(4,5)6)46-75(77(67)93)91-71-42-55(83(10,11)12)28-32-63(71)64-33-29-56(43-72(64)91)84(13,14)15)79(52)95(26)37-36-54(3)96(27)80-53(2)39-62(90)49-70(80)68-41-60(88(24,25)51-82(7,8)9)47-76(78(68)94)92-73-44-57(85(16,17)18)30-34-65(73)66-35-31-58(45-74(66)92)86(19,20)21;1-27-54-40-62(90)50-70(68-42-60(88(23,24)52-82(6,7)8)48-76(78(68)94)92-73-45-57(85(15,16)17)31-35-65(73)66-36-32-58(46-74(66)92)86(18,19)20)80(54)96(26)38-28-37-95(25)79-53(2)39-61(89)49-69(79)67-41-59(87(21,22)51-81(3,4)5)47-75(77(67)93)91-71-43-55(83(9,10)11)29-33-63(71)64-34-30-56(44-72(64)91)84(12,13)14;1-48-35-54(82)43-64(62-37-52(80(15,16)46-76(3,4)5)41-70(72(62)86)84-66-27-23-21-25-58(66)59-26-22-24-28-67(59)84)74(48)88(19)56-31-32-57(45-56)89(20)75-49(2)36-55(83)44-65(75)63-38-53(81(17,18)47-77(6,7)8)42-71(73(63)87)85-68-39-50(78(9,10)11)29-33-60(68)61-34-30-51(40-69(61)85)79(12,13)14;;;;;;;;;;;;/h29-48,55-56,95-96H,27-28,49-52H2,1-26H3;28-35,38-49,54,93-94H,26-27,36-37,50-51H2,1-25H3;29-36,39-50,93-94H,25-28,37-38,51-52H2,1-24H3;29-30,33-44,56-57,86-87H,19-28,31-32,45-47H2,1-18H3;8*1H3;;;;/q;;;;8*-1;;;;
InChIKeyIBTGCDXERZZAHF-UHFFFAOYSA-N
MW5961.57 g/mol
LogP103.88
Rot. Bonds56

About carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium

carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium (PubChem CID 159413310) has the molecular formula C355H460F8Hf4N8O16-8 and a molecular weight of 5961.57 g/mol. Its IUPAC name is carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium.

Molecular Properties

Compound Namecarbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium
PubChem CID159413310
Molecular FormulaC355H460F8Hf4N8O16-8
Molecular Weight5961.57 g/mol
Exact Mass5963.32
IUPAC Namecarbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium
SMILES[CH2-][O+](CC(C)C(C)C[O+]([CH2-])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)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.[CH2-][O+](CCC(C)[O+]([CH2-])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)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.[CH2-][O+](CCC[O+]([CH2-])c1c(CC)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)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.[CH2-][O+](c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3c(c4c2CCCC4)CCCC3)c1O)C1CCC([O+]([CH2-])c2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf]
InChIInChI=1S/C90H114F2N2O4.2C88H110F2N2O4.C81H102F2N2O4.8CH3.4Hf/c1-53-37-63(91)47-71(69-39-61(89(23,24)51-83(5,6)7)45-77(79(69)95)93-73-41-57(85(11,12)13)29-33-65(73)66-34-30-58(42-74(66)93)86(14,15)16)81(53)97(27)49-55(3)56(4)50-98(28)82-54(2)38-64(92)48-72(82)70-40-62(90(25,26)52-84(8,9)10)46-78(80(70)96)94-75-43-59(87(17,18)19)31-35-67(75)68-36-32-60(44-76(68)94)88(20,21)22;1-52-38-61(89)48-69(67-40-59(87(22,23)50-81(4,5)6)46-75(77(67)93)91-71-42-55(83(10,11)12)28-32-63(71)64-33-29-56(43-72(64)91)84(13,14)15)79(52)95(26)37-36-54(3)96(27)80-53(2)39-62(90)49-70(80)68-41-60(88(24,25)51-82(7,8)9)47-76(78(68)94)92-73-44-57(85(16,17)18)30-34-65(73)66-35-31-58(45-74(66)92)86(19,20)21;1-27-54-40-62(90)50-70(68-42-60(88(23,24)52-82(6,7)8)48-76(78(68)94)92-73-45-57(85(15,16)17)31-35-65(73)66-36-32-58(46-74(66)92)86(18,19)20)80(54)96(26)38-28-37-95(25)79-53(2)39-61(89)49-69(79)67-41-59(87(21,22)51-81(3,4)5)47-75(77(67)93)91-71-43-55(83(9,10)11)29-33-63(71)64-34-30-56(44-72(64)91)84(12,13)14;1-48-35-54(82)43-64(62-37-52(80(15,16)46-76(3,4)5)41-70(72(62)86)84-66-27-23-21-25-58(66)59-26-22-24-28-67(59)84)74(48)88(19)56-31-32-57(45-56)89(20)75-49(2)36-55(83)44-65(75)63-38-53(81(17,18)47-77(6,7)8)42-71(73(63)87)85-68-39-50(78(9,10)11)29-33-60(68)61-34-30-51(40-69(61)85)79(12,13)14;;;;;;;;;;;;/h29-48,55-56,95-96H,27-28,49-52H2,1-26H3;28-35,38-49,54,93-94H,26-27,36-37,50-51H2,1-25H3;29-36,39-50,93-94H,25-28,37-38,51-52H2,1-24H3;29-30,33-44,56-57,86-87H,19-28,31-32,45-47H2,1-18H3;8*1H3;;;;/q;;;;8*-1;;;;
InChIKeyIBTGCDXERZZAHF-UHFFFAOYSA-N
XLogP103.88
TPSA222.88 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms391
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005961.57
LogP ≤ 5103.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium with MolForge

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What is the IUPAC name of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium?
The IUPAC name of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium (CID 159413310) is carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium.
What is the SMILES notation for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium?
The canonical SMILES for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium is [CH2-][O+](CC(C)C(C)C[O+]([CH2-])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)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.[CH2-][O+](CCC(C)[O+]([CH2-])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)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.[CH2-][O+](CCC[O+]([CH2-])c1c(CC)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O)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.[CH2-][O+](c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3c(c4c2CCCC4)CCCC3)c1O)C1CCC([O+]([CH2-])c2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf].
What is the InChIKey of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium?
The InChIKey is IBTGCDXERZZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H114F2N2O4.2C88H110F2N2O4.C81H102F2N2O4.8CH3.4Hf/c1-53-37-63(91)47-71(69-39-61(89(23,24)51-83(5,6)7)45-77(79(69)95)93-73-41-57(85(11,12)13)29-33-65(73)66-34-30-58(42-74(66)93)86(14,15)16)81(53)97(27)49-55(3)56(4)50-98(28)82-54(2)38-64(92)48-72(82)70-40-62(90(25,26)52-84(8,9)10)46-78(80(70)96)94-75-43-59(87(17,18)19)31-35-67(75)68-36-32-60(44-76(68)94)88(20,21)22;1-52-38-61(89)48-69(67-40-59(87(22,23)50-81(4,5)6)46-75(77(67)93)91-71-42-55(83(10,11)12)28-32-63(71)64-33-29-56(43-72(64)91)84(13,14)15)79(52)95(26)37-36-54(3)96(27)80-53(2)39-62(90)49-70(80)68-41-60(88(24,25)51-82(7,8)9)47-76(78(68)94)92-73-44-57(85(16,17)18)30-34-65(73)66-35-31-58(45-74(66)92)86(19,20)21;1-27-54-40-62(90)50-70(68-42-60(88(23,24)52-82(6,7)8)48-76(78(68)94)92-73-45-57(85(15,16)17)31-35-65(73)66-36-32-58(46-74(66)92)86(18,19)20)80(54)96(26)38-28-37-95(25)79-53(2)39-61(89)49-69(79)67-41-59(87(21,22)51-81(3,4)5)47-75(77(67)93)91-71-43-55(83(9,10)11)29-33-63(71)64-34-30-56(44-72(64)91)84(12,13)14;1-48-35-54(82)43-64(62-37-52(80(15,16)46-76(3,4)5)41-70(72(62)86)84-66-27-23-21-25-58(66)59-26-22-24-28-67(59)84)74(48)88(19)56-31-32-57(45-56)89(20)75-49(2)36-55(83)44-65(75)63-38-53(81(17,18)47-77(6,7)8)42-71(73(63)87)85-68-39-50(78(9,10)11)29-33-60(68)61-34-30-51(40-69(61)85)79(12,13)14;;;;;;;;;;;;/h29-48,55-56,95-96H,27-28,49-52H2,1-26H3;28-35,38-49,54,93-94H,26-27,36-37,50-51H2,1-25H3;29-36,39-50,93-94H,25-28,37-38,51-52H2,1-24H3;29-30,33-44,56-57,86-87H,19-28,31-32,45-47H2,1-18H3;8*1H3;;;;/q;;;;8*-1;;;;.
What are the key properties of carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium?
carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium has a molecular weight of 5961.57 g/mol, XLogP of 103.88, 56 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-ethyl-4-fluorophenyl]-[3-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butan-2-yl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]-2,3-dimethylbutyl]-methanidyloxidanium;[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[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]-methanidyloxonio]cyclopentyl]-methanidyloxidanium;hafnium is sourced from PubChem (CID 159413310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).