2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))

C236H220F4O16Zr4 — CID 158825045

IUPAC2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))
SMILESCc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3c4ccccc4cc4ccccc34)c2O)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2O)c(O)c(-c2cc3ccccc3c3ccccc23)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3CCc4ccccc43)c2O)c(-c2cc(C)cc(C3CCc4ccccc43)c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c(-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/2C59H46F2O4.C59H52O4.C51H52O4.8CH3.4Zr/c1-34-25-50(58(62)52(27-34)56-44-17-9-5-13-38(44)30-39-14-6-10-18-45(39)56)48-32-42(60)21-23-54(48)64-36(3)29-37(4)65-55-24-22-43(61)33-49(55)51-26-35(2)28-53(59(51)63)57-46-19-11-7-15-40(46)31-41-16-8-12-20-47(41)57;1-34-25-52(48-30-38-13-5-7-15-42(38)44-17-9-11-19-46(44)48)58(62)54(27-34)50-32-40(60)21-23-56(50)64-36(3)29-37(4)65-57-24-22-41(61)33-51(57)55-28-35(2)26-53(59(55)63)49-31-39-14-6-8-16-43(39)45-18-10-12-20-47(45)49;1-34-23-25-54(48(27-34)50-29-36(3)31-52(58(50)60)56-44-19-11-7-15-40(44)41-16-8-12-20-45(41)56)62-38(5)33-39(6)63-55-26-24-35(2)28-49(55)51-30-37(4)32-53(59(51)61)57-46-21-13-9-17-42(46)43-18-10-14-22-47(43)57;1-30-15-21-48(42(23-30)46-27-32(3)25-44(50(46)52)40-19-17-36-11-7-9-13-38(36)40)54-34(5)29-35(6)55-49-22-16-31(2)24-43(49)47-28-33(4)26-45(51(47)53)41-20-18-37-12-8-10-14-39(37)41;;;;;;;;;;;;/h2*5-28,30-33,36-37,62-63H,29H2,1-4H3;7-32,38-39,56-57,60-61H,33H2,1-6H3;7-16,21-28,34-35,40-41,52-53H,17-20,29H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t2*36-,37+;38-,39+;34-,35+,40?,41?;;;;;;;;;;;;
InChIKeyLETIZRSITWKLIR-ANHVOQTCSA-N
MW3753.23 g/mol
LogP62.45
Rot. Bonds40

About 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))

2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) (PubChem CID 158825045) has the molecular formula C236H220F4O16Zr4 and a molecular weight of 3753.23 g/mol. Its IUPAC name is 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)).

Molecular Properties

Compound Name2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))
PubChem CID158825045
Molecular FormulaC236H220F4O16Zr4
Molecular Weight3753.23 g/mol
Exact Mass3745.25
IUPAC Name2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))
SMILESCc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3c4ccccc4cc4ccccc34)c2O)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2O)c(O)c(-c2cc3ccccc3c3ccccc23)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3CCc4ccccc43)c2O)c(-c2cc(C)cc(C3CCc4ccccc43)c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c(-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/2C59H46F2O4.C59H52O4.C51H52O4.8CH3.4Zr/c1-34-25-50(58(62)52(27-34)56-44-17-9-5-13-38(44)30-39-14-6-10-18-45(39)56)48-32-42(60)21-23-54(48)64-36(3)29-37(4)65-55-24-22-43(61)33-49(55)51-26-35(2)28-53(59(51)63)57-46-19-11-7-15-40(46)31-41-16-8-12-20-47(41)57;1-34-25-52(48-30-38-13-5-7-15-42(38)44-17-9-11-19-46(44)48)58(62)54(27-34)50-32-40(60)21-23-56(50)64-36(3)29-37(4)65-57-24-22-41(61)33-51(57)55-28-35(2)26-53(59(55)63)49-31-39-14-6-8-16-43(39)45-18-10-12-20-47(45)49;1-34-23-25-54(48(27-34)50-29-36(3)31-52(58(50)60)56-44-19-11-7-15-40(44)41-16-8-12-20-45(41)56)62-38(5)33-39(6)63-55-26-24-35(2)28-49(55)51-30-37(4)32-53(59(51)61)57-46-21-13-9-17-42(46)43-18-10-14-22-47(43)57;1-30-15-21-48(42(23-30)46-27-32(3)25-44(50(46)52)40-19-17-36-11-7-9-13-38(36)40)54-34(5)29-35(6)55-49-22-16-31(2)24-43(49)47-28-33(4)26-45(51(47)53)41-20-18-37-12-8-10-14-39(37)41;;;;;;;;;;;;/h2*5-28,30-33,36-37,62-63H,29H2,1-4H3;7-32,38-39,56-57,60-61H,33H2,1-6H3;7-16,21-28,34-35,40-41,52-53H,17-20,29H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t2*36-,37+;38-,39+;34-,35+,40?,41?;;;;;;;;;;;;
InChIKeyLETIZRSITWKLIR-ANHVOQTCSA-N
XLogP62.45
TPSA235.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003753.23
LogP ≤ 562.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) with MolForge

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Related Compounds

2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;2-[2-[(2R,4S)-4-[2-[2-hydroxy-3-(1H-inden-1-yl)-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-6-(1H-inden-1-yl)-4-methylphenol;tetrakis(zirconium(2+))
CID 158913971
2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol
CID 140828997
2-anthracen-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
CID 58610672
2-anthracen-9-yl-6-[2-[[(1S,2R)-2-[[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
CID 58649341
2-anthracen-9-yl-6-[2-[[2-[[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
CID 21030261
1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)
CID 159613218
2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 58649310
2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 58649365
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R)-4-[2-(2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 143133741
2-(1-adamantyl)-6-[2-[(2R,4S)-4-[2-[3-(1-adamantyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-tert-butyl-2-[2-[(1S,3R)-3-[2-[5-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-fluorophenoxy]cyclohexyl]oxy-5-fluorophenyl]-6-(3,6-ditert-butylcarbazol-9-yl)phenol;carbanide;2-carbazol-9-yl-6-[2-[(2S,5R)-5-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]hexan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S)-1-[[(1S)-1-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methoxyphenoxy]ethyl]-dimethylsilyl]ethoxy]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;tetrakis(zirconium(2+))
CID 158852154
9-[(9R)-2-fluoro-9H-fluoren-9-yl]anthracene
CID 86337156
2-[3-[(2R,4R)-4-[[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-3-pyridinyl]oxy]pentan-2-yl]oxy-2-pyridinyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol
CID 153090219

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))?
The IUPAC name of 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) (CID 158825045) is 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)).
What is the SMILES notation for 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))?
The canonical SMILES for 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) is Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3c4ccccc4cc4ccccc34)c2O)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(-c2cc(F)ccc2O[C@H](C)C[C@H](C)Oc2ccc(F)cc2-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2O)c(O)c(-c2cc3ccccc3c3ccccc23)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3CCc4ccccc43)c2O)c(-c2cc(C)cc(C3CCc4ccccc43)c2O)c1.Cc1ccc(O[C@H](C)C[C@H](C)Oc2ccc(C)cc2-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c(-c2cc(C)cc(C3c4ccccc4-c4ccccc43)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+2].[Zr+2].[Zr+2].[Zr+2].
What is the InChIKey of 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))?
The InChIKey is LETIZRSITWKLIR-ANHVOQTCSA-N. The full InChI is InChI=1S/2C59H46F2O4.C59H52O4.C51H52O4.8CH3.4Zr/c1-34-25-50(58(62)52(27-34)56-44-17-9-5-13-38(44)30-39-14-6-10-18-45(39)56)48-32-42(60)21-23-54(48)64-36(3)29-37(4)65-55-24-22-43(61)33-49(55)51-26-35(2)28-53(59(51)63)57-46-19-11-7-15-40(46)31-41-16-8-12-20-47(41)57;1-34-25-52(48-30-38-13-5-7-15-42(38)44-17-9-11-19-46(44)48)58(62)54(27-34)50-32-40(60)21-23-56(50)64-36(3)29-37(4)65-57-24-22-41(61)33-51(57)55-28-35(2)26-53(59(55)63)49-31-39-14-6-8-16-43(39)45-18-10-12-20-47(45)49;1-34-23-25-54(48(27-34)50-29-36(3)31-52(58(50)60)56-44-19-11-7-15-40(44)41-16-8-12-20-45(41)56)62-38(5)33-39(6)63-55-26-24-35(2)28-49(55)51-30-37(4)32-53(59(51)61)57-46-21-13-9-17-42(46)43-18-10-14-22-47(43)57;1-30-15-21-48(42(23-30)46-27-32(3)25-44(50(46)52)40-19-17-36-11-7-9-13-38(36)40)54-34(5)29-35(6)55-49-22-16-31(2)24-43(49)47-28-33(4)26-45(51(47)53)41-20-18-37-12-8-10-14-39(37)41;;;;;;;;;;;;/h2*5-28,30-33,36-37,62-63H,29H2,1-4H3;7-32,38-39,56-57,60-61H,33H2,1-6H3;7-16,21-28,34-35,40-41,52-53H,17-20,29H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t2*36-,37+;38-,39+;34-,35+,40?,41?;;;;;;;;;;;;.
What are the key properties of 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+))?
2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) has a molecular weight of 3753.23 g/mol, XLogP of 62.45, 40 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-6-[2-[(2S,4R)-4-[2-(3-anthracen-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]pentan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;carbanide;2-(2,3-dihydro-1H-inden-1-yl)-6-[2-[(2R,4S)-4-[2-[3-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-(9H-fluoren-9-yl)-6-[2-[(2R,4S)-4-[2-[3-(9H-fluoren-9-yl)-2-hydroxy-5-methylphenyl]-4-methylphenoxy]pentan-2-yl]oxy-5-methylphenyl]-4-methylphenol;2-[5-fluoro-2-[(2R,4S)-4-[4-fluoro-2-(2-hydroxy-5-methyl-3-phenanthren-9-ylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-phenanthren-9-ylphenol;tetrakis(zirconium(2+)) is sourced from PubChem (CID 158825045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).