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

C62H79NO2 — CID 155062539

IUPAC4-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
SMILESCOc1cc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2)nc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2O)c1
InChIInChI=1S/C62H79NO2/c1-37-14-16-50(45-24-46(59(7,8)9)26-48(25-45)61-31-39(3)18-43(35-61)19-40(4)32-61)52(22-37)56-29-49(65-13)30-57(63-56)53-23-38(2)15-17-51(53)54-27-47(60(10,11)12)28-55(58(54)64)62-33-41(5)20-44(36-62)21-42(6)34-62/h14-17,22-30,39-44,64H,18-21,31-36H2,1-13H3
InChIKeyIQKRFDRRAZGMTD-UHFFFAOYSA-N
MW870.32 g/mol
LogP16.88
Rot. Bonds7

About 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

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 (PubChem CID 155062539) has the molecular formula C62H79NO2 and a molecular weight of 870.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155062539
Molecular FormulaC62H79NO2
Molecular Weight870.32 g/mol
Exact Mass869.61
IUPAC Name4-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
SMILESCOc1cc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2)nc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2O)c1
InChIInChI=1S/C62H79NO2/c1-37-14-16-50(45-24-46(59(7,8)9)26-48(25-45)61-31-39(3)18-43(35-61)19-40(4)32-61)52(22-37)56-29-49(65-13)30-57(63-56)53-23-38(2)15-17-51(53)54-27-47(60(10,11)12)28-55(58(54)64)62-33-41(5)20-44(36-62)21-42(6)34-62/h14-17,22-30,39-44,64H,18-21,31-36H2,1-13H3
InChIKeyIQKRFDRRAZGMTD-UHFFFAOYSA-N
XLogP16.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.32
LogP ≤ 516.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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]-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
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-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-[tert-butyl(dimethyl)silyl]-2-pyridinyl]phenyl]-4-tert-butylphenol;zirconium
CID 176878364
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)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-hex-1-ynyl-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium(2+)
CID 176878366
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol;carbanide;zirconium
CID 176878394
2-[3-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-4-methylphenyl]-6-methylnaphthalene
CID 142475789
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol
CID 176718296

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2)nc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC(C)CC(CC(C)C3)C4)c2O)c1.
What is the InChIKey of 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?
The InChIKey is IQKRFDRRAZGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H79NO2/c1-37-14-16-50(45-24-46(59(7,8)9)26-48(25-45)61-31-39(3)18-43(35-61)19-40(4)32-61)52(22-37)56-29-49(65-13)30-57(63-56)53-23-38(2)15-17-51(53)54-27-47(60(10,11)12)28-55(58(54)64)62-33-41(5)20-44(36-62)21-42(6)34-62/h14-17,22-30,39-44,64H,18-21,31-36H2,1-13H3.
What are the key properties of 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?
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 has a molecular weight of 870.32 g/mol, XLogP of 16.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155062539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).