carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))

C292H300F18N8O16Zr4 — CID 158655501

IUPACcarbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))
SMILESCc1cc(-c2cc(F)ccc2O[C@@H](C[C@@H](Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c2ccccc2)c2ccccc2)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@@H]2CC[C@H](Oc3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)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(-n3c4ccc(C)cc4c4cc(C(F)(F)F)ccc43)c2O)c(O)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)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-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C81H80F2N2O4.C73H76F6N2O4.C71H74F2N2O4.C59H46F8N2O4.8CH3.4Zr/c1-48-37-64(76(86)70(39-48)84-66-31-25-52(78(3,4)5)41-58(66)59-42-53(79(6,7)8)26-32-67(59)84)62-45-56(82)29-35-72(62)88-74(50-21-17-15-18-22-50)47-75(51-23-19-16-20-24-51)89-73-36-30-57(83)46-63(73)65-38-49(2)40-71(77(65)87)85-68-33-27-54(80(9,10)11)43-60(68)61-44-55(81(12,13)14)28-34-69(61)85;1-40-17-27-64(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)74-58-23-15-42(68(3,4)5)33-50(58)51-34-43(69(6,7)8)16-24-59(51)74)54-37-46(72)19-27-64(54)78-48-21-22-49(39-48)79-65-28-20-47(73)38-55(65)57-30-41(2)32-63(67(57)77)75-60-25-17-44(70(9,10)11)35-52(60)53-36-45(71(12,13)14)18-26-61(53)75;1-30-7-13-48-40(19-30)42-26-36(58(62,63)64)9-15-50(42)68(48)52-23-32(3)21-46(56(52)70)44-28-38(60)11-17-54(44)72-34(5)25-35(6)73-55-18-12-39(61)29-45(55)47-22-33(4)24-53(57(47)71)69-49-14-8-31(2)20-41(49)43-27-37(59(65,66)67)10-16-51(43)69;;;;;;;;;;;;/h15-46,74-75,86-87H,47H2,1-14H3;17-31,33-39,42-43,82-83H,32H2,1-16H3;15-20,23-38,48-49,76-77H,21-22,39H2,1-14H3;7-24,26-29,34-35,70-71H,25H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t74-,75+;42-,43+;48-,49+;34-,35-;;;;;;;;;;;;/m.1.1............/s1
InChIKeyIICQZEGNXZYYEP-UKDWYITQSA-N
MW4884.51 g/mol
LogP82.62
Rot. Bonds40

About carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))

carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)) (PubChem CID 158655501) has the molecular formula C292H300F18N8O16Zr4 and a molecular weight of 4884.51 g/mol. Its IUPAC name is carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)).

Molecular Properties

Compound Namecarbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))
PubChem CID158655501
Molecular FormulaC292H300F18N8O16Zr4
Molecular Weight4884.51 g/mol
Exact Mass4875.88
IUPAC Namecarbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))
SMILESCc1cc(-c2cc(F)ccc2O[C@@H](C[C@@H](Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c2ccccc2)c2ccccc2)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@@H]2CC[C@H](Oc3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)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(-n3c4ccc(C)cc4c4cc(C(F)(F)F)ccc43)c2O)c(O)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)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-].[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C81H80F2N2O4.C73H76F6N2O4.C71H74F2N2O4.C59H46F8N2O4.8CH3.4Zr/c1-48-37-64(76(86)70(39-48)84-66-31-25-52(78(3,4)5)41-58(66)59-42-53(79(6,7)8)26-32-67(59)84)62-45-56(82)29-35-72(62)88-74(50-21-17-15-18-22-50)47-75(51-23-19-16-20-24-51)89-73-36-30-57(83)46-63(73)65-38-49(2)40-71(77(65)87)85-68-33-27-54(80(9,10)11)43-60(68)61-44-55(81(12,13)14)28-34-69(61)85;1-40-17-27-64(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)74-58-23-15-42(68(3,4)5)33-50(58)51-34-43(69(6,7)8)16-24-59(51)74)54-37-46(72)19-27-64(54)78-48-21-22-49(39-48)79-65-28-20-47(73)38-55(65)57-30-41(2)32-63(67(57)77)75-60-25-17-44(70(9,10)11)35-52(60)53-36-45(71(12,13)14)18-26-61(53)75;1-30-7-13-48-40(19-30)42-26-36(58(62,63)64)9-15-50(42)68(48)52-23-32(3)21-46(56(52)70)44-28-38(60)11-17-54(44)72-34(5)25-35(6)73-55-18-12-39(61)29-45(55)47-22-33(4)24-53(57(47)71)69-49-14-8-31(2)20-41(49)43-27-37(59(65,66)67)10-16-51(43)69;;;;;;;;;;;;/h15-46,74-75,86-87H,47H2,1-14H3;17-31,33-39,42-43,82-83H,32H2,1-16H3;15-20,23-38,48-49,76-77H,21-22,39H2,1-14H3;7-24,26-29,34-35,70-71H,25H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t74-,75+;42-,43+;48-,49+;34-,35-;;;;;;;;;;;;/m.1.1............/s1
InChIKeyIICQZEGNXZYYEP-UKDWYITQSA-N
XLogP82.62
TPSA275.12 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004884.51
LogP ≤ 582.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(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-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))?
The IUPAC name of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)) (CID 158655501) is carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)).
What is the SMILES notation for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))?
The canonical SMILES for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)) is Cc1cc(-c2cc(F)ccc2O[C@@H](C[C@@H](Oc2ccc(F)cc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c2ccccc2)c2ccccc2)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1cc(-c2cc(F)ccc2O[C@@H]2CC[C@H](Oc3ccc(F)cc3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)C2)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(-n3c4ccc(C)cc4c4cc(C(F)(F)F)ccc43)c2O)c(O)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)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-].[Zr+2].[Zr+2].[Zr+2].[Zr+2].
What is the InChIKey of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))?
The InChIKey is IICQZEGNXZYYEP-UKDWYITQSA-N. The full InChI is InChI=1S/C81H80F2N2O4.C73H76F6N2O4.C71H74F2N2O4.C59H46F8N2O4.8CH3.4Zr/c1-48-37-64(76(86)70(39-48)84-66-31-25-52(78(3,4)5)41-58(66)59-42-53(79(6,7)8)26-32-67(59)84)62-45-56(82)29-35-72(62)88-74(50-21-17-15-18-22-50)47-75(51-23-19-16-20-24-51)89-73-36-30-57(83)46-63(73)65-38-49(2)40-71(77(65)87)85-68-33-27-54(80(9,10)11)43-60(68)61-44-55(81(12,13)14)28-34-69(61)85;1-40-17-27-64(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)74-58-23-15-42(68(3,4)5)33-50(58)51-34-43(69(6,7)8)16-24-59(51)74)54-37-46(72)19-27-64(54)78-48-21-22-49(39-48)79-65-28-20-47(73)38-55(65)57-30-41(2)32-63(67(57)77)75-60-25-17-44(70(9,10)11)35-52(60)53-36-45(71(12,13)14)18-26-61(53)75;1-30-7-13-48-40(19-30)42-26-36(58(62,63)64)9-15-50(42)68(48)52-23-32(3)21-46(56(52)70)44-28-38(60)11-17-54(44)72-34(5)25-35(6)73-55-18-12-39(61)29-45(55)47-22-33(4)24-53(57(47)71)69-49-14-8-31(2)20-41(49)43-27-37(59(65,66)67)10-16-51(43)69;;;;;;;;;;;;/h15-46,74-75,86-87H,47H2,1-14H3;17-31,33-39,42-43,82-83H,32H2,1-16H3;15-20,23-38,48-49,76-77H,21-22,39H2,1-14H3;7-24,26-29,34-35,70-71H,25H2,1-6H3;8*1H3;;;;/q;;;;8*-1;4*+2/t74-,75+;42-,43+;48-,49+;34-,35-;;;;;;;;;;;;/m.1.1............/s1.
What are the key properties of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+))?
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)) has a molecular weight of 4884.51 g/mol, XLogP of 82.62, 40 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1R,3S)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]cyclopentyl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S,3R)-3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]-1,3-diphenylpropoxy]-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-[5-fluoro-2-[(2R,4R)-4-[4-fluoro-2-[2-hydroxy-5-methyl-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenol;tetrakis(zirconium(2+)) is sourced from PubChem (CID 158655501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).