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+))

C262H294F12HfN6O16TiZr2-2 — CID 158908626

IUPACcarbanide;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+))
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c(C)c(C)c4ccccc43)c2O)c(O)c(-n2c(C)c(C)c3ccccc32)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+2].[Zr+2].[Zr+2]
InChIInChI=1S/C73H76F6N2O4.C71H76F2N2O4.C59H70F2O4.C51H48F2N2O4.8CH3.Hf.Ti.2Zr/c1-40-17-27-64(54(29-40)56-30-41(2)31-62(66(56)82)80-58-23-18-44(68(5,6)7)33-50(58)51-34-45(69(8,9)10)19-24-59(51)80)84-42(3)32-43(4)85-65-28-22-48(72(74,75)76)37-55(65)57-38-49(73(77,78)79)39-63(67(57)83)81-60-25-20-46(70(11,12)13)35-52(60)53-36-47(71(14,15)16)21-26-61(53)81;1-40-29-56(66(76)62(31-40)74-58-23-17-44(68(5,6)7)34-50(58)51-35-45(69(8,9)10)18-24-59(51)74)54-38-48(72)21-27-64(54)78-42(3)33-43(4)79-65-28-22-49(73)39-55(65)57-30-41(2)32-63(67(57)77)75-60-25-19-46(70(11,12)13)36-52(60)53-37-47(71(14,15)16)20-26-61(53)75;1-34-21-46(38-26-40(56(5,6)7)30-41(27-38)57(8,9)10)54(62)50(23-34)48-32-44(60)17-19-52(48)64-36(3)25-37(4)65-53-20-18-45(61)33-49(53)51-24-35(2)22-47(55(51)63)39-28-42(58(11,12)13)31-43(29-39)59(14,15)16;1-28-21-42(50(56)46(23-28)54-34(7)32(5)38-13-9-11-15-44(38)54)40-26-36(52)17-19-48(40)58-30(3)25-31(4)59-49-20-18-37(53)27-41(49)43-22-29(2)24-47(51(43)57)55-35(8)33(6)39-14-10-12-16-45(39)55;;;;;;;;;;;;/h17-31,33-39,42-43,82-83H,32H2,1-16H3;17-32,34-39,42-43,76-77H,33H2,1-16H3;17-24,26-33,36-37,62-63H,25H2,1-16H3;9-24,26-27,30-31,56-57H,25H2,1-8H3;8*1H3;;;;/q;;;;8*-1;;3*+2/t42-,43+;42-,43-;36-,37+;30-,31+;;;;;;;;;;;;/m11............../s1
InChIKeyYHGLNYPJOFUHCZ-ATTYYTCZSA-N
MW4420.04 g/mol
LogP73.57
Rot. Bonds40

About 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+))

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+)) (PubChem CID 158908626) has the molecular formula C262H294F12HfN6O16TiZr2-2 and a molecular weight of 4420.04 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Namecarbanide;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+))
PubChem CID158908626
Molecular FormulaC262H294F12HfN6O16TiZr2-2
Molecular Weight4420.04 g/mol
Exact Mass4415.92
IUPAC Namecarbanide;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+))
SMILESCc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c(C)c(C)c4ccccc43)c2O)c(O)c(-n2c(C)c(C)c3ccccc32)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+2].[Zr+2].[Zr+2]
InChIInChI=1S/C73H76F6N2O4.C71H76F2N2O4.C59H70F2O4.C51H48F2N2O4.8CH3.Hf.Ti.2Zr/c1-40-17-27-64(54(29-40)56-30-41(2)31-62(66(56)82)80-58-23-18-44(68(5,6)7)33-50(58)51-34-45(69(8,9)10)19-24-59(51)80)84-42(3)32-43(4)85-65-28-22-48(72(74,75)76)37-55(65)57-38-49(73(77,78)79)39-63(67(57)83)81-60-25-20-46(70(11,12)13)35-52(60)53-36-47(71(14,15)16)21-26-61(53)81;1-40-29-56(66(76)62(31-40)74-58-23-17-44(68(5,6)7)34-50(58)51-35-45(69(8,9)10)18-24-59(51)74)54-38-48(72)21-27-64(54)78-42(3)33-43(4)79-65-28-22-49(73)39-55(65)57-30-41(2)32-63(67(57)77)75-60-25-19-46(70(11,12)13)36-52(60)53-37-47(71(14,15)16)20-26-61(53)75;1-34-21-46(38-26-40(56(5,6)7)30-41(27-38)57(8,9)10)54(62)50(23-34)48-32-44(60)17-19-52(48)64-36(3)25-37(4)65-53-20-18-45(61)33-49(53)51-24-35(2)22-47(55(51)63)39-28-42(58(11,12)13)31-43(29-39)59(14,15)16;1-28-21-42(50(56)46(23-28)54-34(7)32(5)38-13-9-11-15-44(38)54)40-26-36(52)17-19-48(40)58-30(3)25-31(4)59-49-20-18-37(53)27-41(49)43-22-29(2)24-47(51(43)57)55-35(8)33(6)39-14-10-12-16-45(39)55;;;;;;;;;;;;/h17-31,33-39,42-43,82-83H,32H2,1-16H3;17-32,34-39,42-43,76-77H,33H2,1-16H3;17-24,26-33,36-37,62-63H,25H2,1-16H3;9-24,26-27,30-31,56-57H,25H2,1-8H3;8*1H3;;;;/q;;;;8*-1;;3*+2/t42-,43+;42-,43-;36-,37+;30-,31+;;;;;;;;;;;;/m11............../s1
InChIKeyYHGLNYPJOFUHCZ-ATTYYTCZSA-N
XLogP73.57
TPSA265.26 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004420.04
LogP ≤ 573.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 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+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-n3c(C)c(C)c4ccccc43)c2O)c(O)c(-n2c(C)c(C)c3ccccc32)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+2].[Zr+2].[Zr+2].
What is the InChIKey of 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+))?
The InChIKey is YHGLNYPJOFUHCZ-ATTYYTCZSA-N. The full InChI is InChI=1S/C73H76F6N2O4.C71H76F2N2O4.C59H70F2O4.C51H48F2N2O4.8CH3.Hf.Ti.2Zr/c1-40-17-27-64(54(29-40)56-30-41(2)31-62(66(56)82)80-58-23-18-44(68(5,6)7)33-50(58)51-34-45(69(8,9)10)19-24-59(51)80)84-42(3)32-43(4)85-65-28-22-48(72(74,75)76)37-55(65)57-38-49(73(77,78)79)39-63(67(57)83)81-60-25-20-46(70(11,12)13)35-52(60)53-36-47(71(14,15)16)21-26-61(53)81;1-40-29-56(66(76)62(31-40)74-58-23-17-44(68(5,6)7)34-50(58)51-35-45(69(8,9)10)18-24-59(51)74)54-38-48(72)21-27-64(54)78-42(3)33-43(4)79-65-28-22-49(73)39-55(65)57-30-41(2)32-63(67(57)77)75-60-25-19-46(70(11,12)13)36-52(60)53-37-47(71(14,15)16)20-26-61(53)75;1-34-21-46(38-26-40(56(5,6)7)30-41(27-38)57(8,9)10)54(62)50(23-34)48-32-44(60)17-19-52(48)64-36(3)25-37(4)65-53-20-18-45(61)33-49(53)51-24-35(2)22-47(55(51)63)39-28-42(58(11,12)13)31-43(29-39)59(14,15)16;1-28-21-42(50(56)46(23-28)54-34(7)32(5)38-13-9-11-15-44(38)54)40-26-36(52)17-19-48(40)58-30(3)25-31(4)59-49-20-18-37(53)27-41(49)43-22-29(2)24-47(51(43)57)55-35(8)33(6)39-14-10-12-16-45(39)55;;;;;;;;;;;;/h17-31,33-39,42-43,82-83H,32H2,1-16H3;17-32,34-39,42-43,76-77H,33H2,1-16H3;17-24,26-33,36-37,62-63H,25H2,1-16H3;9-24,26-27,30-31,56-57H,25H2,1-8H3;8*1H3;;;;/q;;;;8*-1;;3*+2/t42-,43+;42-,43-;36-,37+;30-,31+;;;;;;;;;;;;/m11............../s1.
What are the key properties of 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+))?
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+)) has a molecular weight of 4420.04 g/mol, XLogP of 73.57, 40 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 158908626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).