2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium

C123H152Hf2N2O5-4 — CID 159174215

IUPAC2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium
SMILESCOc1cc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1cc(-c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)ccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/C60H71NO3.C59H69NO2.4CH3.2Hf/c1-34-14-49(55(62)51(16-34)59-28-36-18-37(29-59)20-38(19-36)30-59)45-12-10-42(57(3,4)5)24-47(45)53-26-44(64-9)27-54(61-53)48-25-43(58(6,7)8)11-13-46(48)50-15-35(2)17-52(56(50)63)60-31-39-21-40(32-60)23-41(22-39)33-60;1-34-16-48(54(61)50(18-34)58-28-36-20-37(29-58)22-38(21-36)30-58)44-14-12-42(56(3,4)5)26-46(44)52-10-9-11-53(60-52)47-27-43(57(6,7)8)13-15-45(47)49-17-35(2)19-51(55(49)62)59-31-39-23-40(32-59)25-41(24-39)33-59;;;;;;/h10-17,24-27,36-41,62-63H,18-23,28-33H2,1-9H3;9-19,26-27,36-41,61-62H,20-25,28-33H2,1-8H3;4*1H3;;/q;;4*-1;;
InChIKeyCSDMKJBGMCSIEX-UHFFFAOYSA-N
MW2095.56 g/mol
LogP32.42
Rot. Bonds13

About 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium (PubChem CID 159174215) has the molecular formula C123H152Hf2N2O5-4 and a molecular weight of 2095.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium
PubChem CID159174215
Molecular FormulaC123H152Hf2N2O5-4
Molecular Weight2095.56 g/mol
Exact Mass2097.07
IUPAC Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium
SMILESCOc1cc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1cc(-c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)ccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/C60H71NO3.C59H69NO2.4CH3.2Hf/c1-34-14-49(55(62)51(16-34)59-28-36-18-37(29-59)20-38(19-36)30-59)45-12-10-42(57(3,4)5)24-47(45)53-26-44(64-9)27-54(61-53)48-25-43(58(6,7)8)11-13-46(48)50-15-35(2)17-52(56(50)63)60-31-39-21-40(32-60)23-41(22-39)33-60;1-34-16-48(54(61)50(18-34)58-28-36-20-37(29-58)22-38(21-36)30-58)44-14-12-42(56(3,4)5)26-46(44)52-10-9-11-53(60-52)47-27-43(57(6,7)8)13-15-45(47)49-17-35(2)19-51(55(49)62)59-31-39-23-40(32-59)25-41(24-39)33-59;;;;;;/h10-17,24-27,36-41,62-63H,18-23,28-33H2,1-9H3;9-19,26-27,36-41,61-62H,20-25,28-33H2,1-8H3;4*1H3;;/q;;4*-1;;
InChIKeyCSDMKJBGMCSIEX-UHFFFAOYSA-N
XLogP32.42
TPSA115.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002095.56
LogP ≤ 532.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium
CID 159130423
4-tert-butyl-2-[2-[6-[2-[3-tert-butyl-5-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-6-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenol
CID 155062539
2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol
CID 155058199
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-ethoxy-2-pyridinyl]phenyl]-4-tert-butylphenol;zirconium
CID 176878378
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-methyl-2-oxidophenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-methylphenolate;carbanide;hafnium(4+)
CID 175694416
2-[2-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]-5-methylphenyl]-6-[2-[3-(2-adamantyl)-2-methoxy-5-methylphenyl]-5-methylphenyl]pyridine;carbanide;zirconium(2+)
CID 174049529
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[tert-butyl(dimethyl)silyl]-2-pyridinyl]phenyl]-4-tert-butylphenol;zirconium
CID 176878364
2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine
CID 175988123
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium
CID 176878390
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-butyl-2-pyridinyl]phenyl]-4-tert-butylphenol
CID 176718289
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-1-methylidenepyridin-1-ium-2-id-2-yl]-4-tert-butylphenyl]-4-methylphenol
CID 154622707
hafnium;2-[2-[6-[2-[2-hydroxy-5-methyl-3-(3,5,7-trimethyl-1-adamantyl)phenyl]phenyl]-2-pyridinyl]phenyl]-4-methyl-6-(3,5,7-trimethyl-1-adamantyl)phenol
CID 170668309

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium?
The IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium (CID 159174215) is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium.
What is the SMILES notation for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium?
The canonical SMILES for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium is COc1cc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)(C)C)ccc2-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1cc(-c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)ccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].
What is the InChIKey of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium?
The InChIKey is CSDMKJBGMCSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H71NO3.C59H69NO2.4CH3.2Hf/c1-34-14-49(55(62)51(16-34)59-28-36-18-37(29-59)20-38(19-36)30-59)45-12-10-42(57(3,4)5)24-47(45)53-26-44(64-9)27-54(61-53)48-25-43(58(6,7)8)11-13-46(48)50-15-35(2)17-52(56(50)63)60-31-39-21-40(32-60)23-41(22-39)33-60;1-34-16-48(54(61)50(18-34)58-28-36-20-37(29-58)22-38(21-36)30-58)44-14-12-42(56(3,4)5)26-46(44)52-10-9-11-53(60-52)47-27-43(57(6,7)8)13-15-45(47)49-17-35(2)19-51(55(49)62)59-31-39-23-40(32-59)25-41(24-39)33-59;;;;;;/h10-17,24-27,36-41,62-63H,18-23,28-33H2,1-9H3;9-19,26-27,36-41,61-62H,20-25,28-33H2,1-8H3;4*1H3;;/q;;4*-1;;.
What are the key properties of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium?
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium has a molecular weight of 2095.56 g/mol, XLogP of 32.42, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-4-methoxy-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]-5-tert-butylphenyl]-2-pyridinyl]-4-tert-butylphenyl]-4-methylphenol;carbanide;hafnium is sourced from PubChem (CID 159174215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).