2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))

C265H355F4HfN5O12SiTiZr2-2 — CID 162276282

IUPAC2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))
SMILESC=C/[C-]=C\C.CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)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.CC1CC2CC3CCCC3CC2C1[Si](C)(C)[N-]C(C)(C)C.C[C@H](C[C@H](C)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+4].[Zr+2].[Zr+2]
InChIInChI=1S/C85H104F2N2O4.C83H100F2N2O4.C65H84O4.C19H36NSi.C5H7.8CH3.Hf.Ti.2Zr/c1-50(92-74-35-29-58(86)46-64(74)66-42-56(84(21,22)48-78(3,4)5)44-72(76(66)90)88-68-31-25-52(80(9,10)11)38-60(68)61-39-53(81(12,13)14)26-32-69(61)88)37-51(2)93-75-36-30-59(87)47-65(75)67-43-57(85(23,24)49-79(6,7)8)45-73(77(67)91)89-70-33-27-54(82(15,16)17)40-62(70)63-41-55(83(18,19)20)28-34-71(63)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20;1-13-10-16-11-14-8-7-9-15(14)12-17(16)18(13)21(5,6)20-19(2,3)4;1-3-5-4-2;;;;;;;;;;;;/h25-36,38-47,50-51,90-91H,37,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;22-25,28-39,66-67H,21,26-27H2,1-20H3;13-18H,7-12H2,1-6H3;3-4H,1H2,2H3;8*1H3;;;;/q;;;10*-1;;+4;2*+2/t50-,51+;;;;;;;;;;;;;;;;
InChIKeyCOKNJZBNDFERCQ-LLZRIOIUSA-N
MW4315.66 g/mol
LogP76.89
Rot. Bonds41

About 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))

2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) (PubChem CID 162276282) has the molecular formula C265H355F4HfN5O12SiTiZr2-2 and a molecular weight of 4315.66 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)).

Molecular Properties

Compound Name2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))
PubChem CID162276282
Molecular FormulaC265H355F4HfN5O12SiTiZr2-2
Molecular Weight4315.66 g/mol
Exact Mass4311.41
IUPAC Name2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))
SMILESC=C/[C-]=C\C.CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)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.CC1CC2CC3CCCC3CC2C1[Si](C)(C)[N-]C(C)(C)C.C[C@H](C[C@H](C)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+4].[Zr+2].[Zr+2]
InChIInChI=1S/C85H104F2N2O4.C83H100F2N2O4.C65H84O4.C19H36NSi.C5H7.8CH3.Hf.Ti.2Zr/c1-50(92-74-35-29-58(86)46-64(74)66-42-56(84(21,22)48-78(3,4)5)44-72(76(66)90)88-68-31-25-52(80(9,10)11)38-60(68)61-39-53(81(12,13)14)26-32-69(61)88)37-51(2)93-75-36-30-59(87)47-65(75)67-43-57(85(23,24)49-79(6,7)8)45-73(77(67)91)89-70-33-27-54(82(15,16)17)40-62(70)63-41-55(83(18,19)20)28-34-71(63)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20;1-13-10-16-11-14-8-7-9-15(14)12-17(16)18(13)21(5,6)20-19(2,3)4;1-3-5-4-2;;;;;;;;;;;;/h25-36,38-47,50-51,90-91H,37,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;22-25,28-39,66-67H,21,26-27H2,1-20H3;13-18H,7-12H2,1-6H3;3-4H,1H2,2H3;8*1H3;;;;/q;;;10*-1;;+4;2*+2/t50-,51+;;;;;;;;;;;;;;;;
InChIKeyCOKNJZBNDFERCQ-LLZRIOIUSA-N
XLogP76.89
TPSA210.58 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds41
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004315.66
LogP ≤ 576.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))?
The IUPAC name of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) (CID 162276282) is 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)).
What is the SMILES notation for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))?
The canonical SMILES for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) is C=C/[C-]=C\C.CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)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.CC1CC2CC3CCCC3CC2C1[Si](C)(C)[N-]C(C)(C)C.C[C@H](C[C@H](C)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)Oc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2cc(C(C)(C)C)ccc2OCCCOc2ccc(C(C)(C)C)cc2-c2cc(C)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Ti+4].[Zr+2].[Zr+2].
What is the InChIKey of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))?
The InChIKey is COKNJZBNDFERCQ-LLZRIOIUSA-N. The full InChI is InChI=1S/C85H104F2N2O4.C83H100F2N2O4.C65H84O4.C19H36NSi.C5H7.8CH3.Hf.Ti.2Zr/c1-50(92-74-35-29-58(86)46-64(74)66-42-56(84(21,22)48-78(3,4)5)44-72(76(66)90)88-68-31-25-52(80(9,10)11)38-60(68)61-39-53(81(12,13)14)26-32-69(61)88)37-51(2)93-75-36-30-59(87)47-65(75)67-43-57(85(23,24)49-79(6,7)8)45-73(77(67)91)89-70-33-27-54(82(15,16)17)40-62(70)63-41-55(83(18,19)20)28-34-71(63)89;1-76(2,3)48-82(19,20)54-42-64(74(88)70(44-54)86-66-30-24-50(78(7,8)9)38-58(66)59-39-51(79(10,11)12)25-31-67(59)86)62-46-56(84)28-34-72(62)90-36-23-37-91-73-35-29-57(85)47-63(73)65-43-55(83(21,22)49-77(4,5)6)45-71(75(65)89)87-68-32-26-52(80(13,14)15)40-60(68)61-41-53(81(16,17)18)27-33-69(61)87;1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20;1-13-10-16-11-14-8-7-9-15(14)12-17(16)18(13)21(5,6)20-19(2,3)4;1-3-5-4-2;;;;;;;;;;;;/h25-36,38-47,50-51,90-91H,37,48-49H2,1-24H3;24-35,38-47,88-89H,23,36-37,48-49H2,1-22H3;22-25,28-39,66-67H,21,26-27H2,1-20H3;13-18H,7-12H2,1-6H3;3-4H,1H2,2H3;8*1H3;;;;/q;;;10*-1;;+4;2*+2/t50-,51+;;;;;;;;;;;;;;;;.
What are the key properties of 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+))?
2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) has a molecular weight of 4315.66 g/mol, XLogP of 76.89, 41 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol;tert-butyl-[dimethyl-(2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide;carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium;penta-1,3-diene;titanium(4+);bis(zirconium(2+)) is sourced from PubChem (CID 162276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).