2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium

C238H285F3Hf3N4O9Zr-8 — CID 157129797

IUPAC2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium
SMILESCC(C)(C)c1cc(-c2ccccc2-c2cc(C(F)(F)F)cc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.COc1cc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Zr]
InChIInChI=1S/C58H64F3NO2.C58H67NO3.2C57H65NO2.8CH3.3Hf.Zr/c1-54(2,3)39-21-46(52(63)48(23-39)56-27-33-15-34(28-56)17-35(16-33)29-56)42-11-7-9-13-44(42)50-25-41(58(59,60)61)26-51(62-50)45-14-10-8-12-43(45)47-22-40(55(4,5)6)24-49(53(47)64)57-30-36-18-37(31-57)20-38(19-36)32-57;1-55(2,3)40-22-47(53(60)49(24-40)57-28-34-16-35(29-57)18-36(17-34)30-57)43-12-8-10-14-45(43)51-26-42(62-7)27-52(59-51)46-15-11-9-13-44(46)48-23-41(56(4,5)6)25-50(54(48)61)58-31-37-19-38(32-58)21-39(20-37)33-58;2*1-54(2,3)40-24-46(52(59)48(26-40)56-28-34-18-35(29-56)20-36(19-34)30-56)42-12-7-9-14-44(42)50-16-11-17-51(58-50)45-15-10-8-13-43(45)47-25-41(55(4,5)6)27-49(53(47)60)57-31-37-21-38(32-57)23-39(22-37)33-57;;;;;;;;;;;;/h7-14,21-26,33-38,63-64H,15-20,27-32H2,1-6H3;8-15,22-27,34-39,60-61H,16-21,28-33H2,1-7H3;2*7-17,24-27,34-39,59-60H,18-23,28-33H2,1-6H3;8*1H3;;;;/q;;;;8*-1;;;;
InChIKeyYLBHMNKGJAESGL-UHFFFAOYSA-N
MW4029.60 g/mol
LogP63.39
Rot. Bonds25

About 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium (PubChem CID 157129797) has the molecular formula C238H285F3Hf3N4O9Zr-8 and a molecular weight of 4029.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium
PubChem CID157129797
Molecular FormulaC238H285F3Hf3N4O9Zr-8
Molecular Weight4029.60 g/mol
Exact Mass4029.94
IUPAC Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium
SMILESCC(C)(C)c1cc(-c2ccccc2-c2cc(C(F)(F)F)cc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.COc1cc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Zr]
InChIInChI=1S/C58H64F3NO2.C58H67NO3.2C57H65NO2.8CH3.3Hf.Zr/c1-54(2,3)39-21-46(52(63)48(23-39)56-27-33-15-34(28-56)17-35(16-33)29-56)42-11-7-9-13-44(42)50-25-41(58(59,60)61)26-51(62-50)45-14-10-8-12-43(45)47-22-40(55(4,5)6)24-49(53(47)64)57-30-36-18-37(31-57)20-38(19-36)32-57;1-55(2,3)40-22-47(53(60)49(24-40)57-28-34-16-35(29-57)18-36(17-34)30-57)43-12-8-10-14-45(43)51-26-42(62-7)27-52(59-51)46-15-11-9-13-44(46)48-23-41(56(4,5)6)25-50(54(48)61)58-31-37-19-38(32-58)21-39(20-37)33-58;2*1-54(2,3)40-24-46(52(59)48(26-40)56-28-34-18-35(29-56)20-36(19-34)30-56)42-12-7-9-14-44(42)50-16-11-17-51(58-50)45-15-10-8-13-43(45)47-25-41(55(4,5)6)27-49(53(47)60)57-31-37-21-38(32-57)23-39(22-37)33-57;;;;;;;;;;;;/h7-14,21-26,33-38,63-64H,15-20,27-32H2,1-6H3;8-15,22-27,34-39,60-61H,16-21,28-33H2,1-7H3;2*7-17,24-27,34-39,59-60H,18-23,28-33H2,1-6H3;8*1H3;;;;/q;;;;8*-1;;;;
InChIKeyYLBHMNKGJAESGL-UHFFFAOYSA-N
XLogP63.39
TPSA222.63 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004029.60
LogP ≤ 563.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium?
The IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium (CID 157129797) is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium.
What is the SMILES notation for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium?
The canonical SMILES for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium is CC(C)(C)c1cc(-c2ccccc2-c2cc(C(F)(F)F)cc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.CC(C)(C)c1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.COc1cc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2ccccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].[Zr].
What is the InChIKey of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium?
The InChIKey is YLBHMNKGJAESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64F3NO2.C58H67NO3.2C57H65NO2.8CH3.3Hf.Zr/c1-54(2,3)39-21-46(52(63)48(23-39)56-27-33-15-34(28-56)17-35(16-33)29-56)42-11-7-9-13-44(42)50-25-41(58(59,60)61)26-51(62-50)45-14-10-8-12-43(45)47-22-40(55(4,5)6)24-49(53(47)64)57-30-36-18-37(31-57)20-38(19-36)32-57;1-55(2,3)40-22-47(53(60)49(24-40)57-28-34-16-35(29-57)18-36(17-34)30-57)43-12-8-10-14-45(43)51-26-42(62-7)27-52(59-51)46-15-11-9-13-44(46)48-23-41(56(4,5)6)25-50(54(48)61)58-31-37-19-38(32-58)21-39(20-37)33-58;2*1-54(2,3)40-24-46(52(59)48(26-40)56-28-34-18-35(29-56)20-36(19-34)30-56)42-12-7-9-14-44(42)50-16-11-17-51(58-50)45-15-10-8-13-43(45)47-25-41(55(4,5)6)27-49(53(47)60)57-31-37-21-38(32-57)23-39(22-37)33-57;;;;;;;;;;;;/h7-14,21-26,33-38,63-64H,15-20,27-32H2,1-6H3;8-15,22-27,34-39,60-61H,16-21,28-33H2,1-7H3;2*7-17,24-27,34-39,59-60H,18-23,28-33H2,1-6H3;8*1H3;;;;/q;;;;8*-1;;;;.
What are the key properties of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium?
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium has a molecular weight of 4029.60 g/mol, XLogP of 63.39, 25 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;bis(2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]-4-tert-butylphenol);2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;hafnium;zirconium is sourced from PubChem (CID 157129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).