2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium

C194H241F6Hf3N3O7-6 — CID 158640129

IUPAC2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium
SMILESCC(C)c1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.COc1cc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf]
InChIInChI=1S/C64H76F3NO2.C64H79NO3.C60H68F3NO2.6CH3.3Hf/c1-35(2)43-11-13-48(52-23-45(60(5,6)7)25-54(58(52)69)62-29-37-15-38(30-62)17-39(16-37)31-62)50(21-43)56-27-47(64(65,66)67)28-57(68-56)51-22-44(36(3)4)12-14-49(51)53-24-46(61(8,9)10)26-55(59(53)70)63-32-40-18-41(33-63)20-42(19-40)34-63;1-36(2)44-12-14-49(53-24-46(61(5,6)7)26-55(59(53)66)63-30-38-16-39(31-63)18-40(17-38)32-63)51(22-44)57-28-48(68-11)29-58(65-57)52-23-45(37(3)4)13-15-50(52)54-25-47(62(8,9)10)27-56(60(54)67)64-33-41-19-42(34-64)21-43(20-41)35-64;1-33-9-11-44(48-21-41(56(3,4)5)23-50(54(48)65)58-27-35-15-36(28-58)17-37(16-35)29-58)46(13-33)52-25-43(60(61,62)63)26-53(64-52)47-14-34(2)10-12-45(47)49-22-42(57(6,7)8)24-51(55(49)66)59-30-38-18-39(31-59)20-40(19-38)32-59;;;;;;;;;/h11-14,21-28,35-42,69-70H,15-20,29-34H2,1-10H3;12-15,22-29,36-43,66-67H,16-21,30-35H2,1-11H3;9-14,21-26,35-40,65-66H,15-20,27-32H2,1-8H3;6*1H3;;;/q;;;6*-1;;;
InChIKeyMYLUKWJEANHQJW-UHFFFAOYSA-N
MW3376.53 g/mol
LogP53.93
Rot. Bonds23

About 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium (PubChem CID 158640129) has the molecular formula C194H241F6Hf3N3O7-6 and a molecular weight of 3376.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium
PubChem CID158640129
Molecular FormulaC194H241F6Hf3N3O7-6
Molecular Weight3376.53 g/mol
Exact Mass3378.69
IUPAC Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium
SMILESCC(C)c1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.COc1cc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf]
InChIInChI=1S/C64H76F3NO2.C64H79NO3.C60H68F3NO2.6CH3.3Hf/c1-35(2)43-11-13-48(52-23-45(60(5,6)7)25-54(58(52)69)62-29-37-15-38(30-62)17-39(16-37)31-62)50(21-43)56-27-47(64(65,66)67)28-57(68-56)51-22-44(36(3)4)12-14-49(51)53-24-46(61(8,9)10)26-55(59(53)70)63-32-40-18-41(33-63)20-42(19-40)34-63;1-36(2)44-12-14-49(53-24-46(61(5,6)7)26-55(59(53)66)63-30-38-16-39(31-63)18-40(17-38)32-63)51(22-44)57-28-48(68-11)29-58(65-57)52-23-45(37(3)4)13-15-50(52)54-25-47(62(8,9)10)27-56(60(54)67)64-33-41-19-42(34-64)21-43(20-41)35-64;1-33-9-11-44(48-21-41(56(3,4)5)23-50(54(48)65)58-27-35-15-36(28-58)17-37(16-35)29-58)46(13-33)52-25-43(60(61,62)63)26-53(64-52)47-14-34(2)10-12-45(47)49-22-42(57(6,7)8)24-51(55(49)66)59-30-38-18-39(31-59)20-40(19-38)32-59;;;;;;;;;/h11-14,21-28,35-42,69-70H,15-20,29-34H2,1-10H3;12-15,22-29,36-43,66-67H,16-21,30-35H2,1-11H3;9-14,21-26,35-40,65-66H,15-20,27-32H2,1-8H3;6*1H3;;;/q;;;6*-1;;;
InChIKeyMYLUKWJEANHQJW-UHFFFAOYSA-N
XLogP53.93
TPSA169.28 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003376.53
LogP ≤ 553.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium?
The IUPAC name of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium (CID 158640129) is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium.
What is the SMILES notation for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium?
The canonical SMILES for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium is CC(C)c1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.COc1cc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.Cc1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cc(C(F)(F)F)cc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Hf].
What is the InChIKey of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium?
The InChIKey is MYLUKWJEANHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H76F3NO2.C64H79NO3.C60H68F3NO2.6CH3.3Hf/c1-35(2)43-11-13-48(52-23-45(60(5,6)7)25-54(58(52)69)62-29-37-15-38(30-62)17-39(16-37)31-62)50(21-43)56-27-47(64(65,66)67)28-57(68-56)51-22-44(36(3)4)12-14-49(51)53-24-46(61(8,9)10)26-55(59(53)70)63-32-40-18-41(33-63)20-42(19-40)34-63;1-36(2)44-12-14-49(53-24-46(61(5,6)7)26-55(59(53)66)63-30-38-16-39(31-63)18-40(17-38)32-63)51(22-44)57-28-48(68-11)29-58(65-57)52-23-45(37(3)4)13-15-50(52)54-25-47(62(8,9)10)27-56(60(54)67)64-33-41-19-42(34-64)21-43(20-41)35-64;1-33-9-11-44(48-21-41(56(3,4)5)23-50(54(48)65)58-27-35-15-36(28-58)17-37(16-35)29-58)46(13-33)52-25-43(60(61,62)63)26-53(64-52)47-14-34(2)10-12-45(47)49-22-42(57(6,7)8)24-51(55(49)66)59-30-38-18-39(31-59)20-40(19-38)32-59;;;;;;;;;/h11-14,21-28,35-42,69-70H,15-20,29-34H2,1-10H3;12-15,22-29,36-43,66-67H,16-21,30-35H2,1-11H3;9-14,21-26,35-40,65-66H,15-20,27-32H2,1-8H3;6*1H3;;;/q;;;6*-1;;;.
What are the key properties of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium?
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium has a molecular weight of 3376.53 g/mol, XLogP of 53.93, 23 rotatable bonds, 6 hydrogen bond donors, and 10 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]-5-methylphenyl]-4-(trifluoromethyl)-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]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;carbanide;hafnium is sourced from PubChem (CID 158640129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).