2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol

C76H105NO2Si — CID 176718296

IUPAC2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Cc1cc(-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
InChIInChI=1S/C76H105NO2Si/c1-10-13-16-23-30-80(31-24-17-14-11-2,32-25-18-15-12-3)51-58-39-69(63-28-21-19-26-61(63)65-41-59(73(4,5)6)43-67(71(65)78)75-45-52-33-53(46-75)35-54(34-52)47-75)77-70(40-58)64-29-22-20-27-62(64)66-42-60(74(7,8)9)44-68(72(66)79)76-48-55-36-56(49-76)38-57(37-55)50-76/h19-22,26-29,39-44,52-57,78-79H,10-18,23-25,30-38,45-51H2,1-9H3
InChIKeyUCRKLUSQJLGUOP-UHFFFAOYSA-N
MW1092.77 g/mol
LogP21.96
Rot. Bonds23

About 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol

2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol (PubChem CID 176718296) has the molecular formula C76H105NO2Si and a molecular weight of 1092.77 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol
PubChem CID176718296
Molecular FormulaC76H105NO2Si
Molecular Weight1092.77 g/mol
Exact Mass1091.79
IUPAC Name2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)Cc1cc(-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
InChIInChI=1S/C76H105NO2Si/c1-10-13-16-23-30-80(31-24-17-14-11-2,32-25-18-15-12-3)51-58-39-69(63-28-21-19-26-61(63)65-41-59(73(4,5)6)43-67(71(65)78)75-45-52-33-53(46-75)35-54(34-52)47-75)77-70(40-58)64-29-22-20-27-62(64)66-42-60(74(7,8)9)44-68(72(66)79)76-48-55-36-56(49-76)38-57(37-55)50-76/h19-22,26-29,39-44,52-57,78-79H,10-18,23-25,30-38,45-51H2,1-9H3
InChIKeyUCRKLUSQJLGUOP-UHFFFAOYSA-N
XLogP21.96
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.77
LogP ≤ 521.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol?
The IUPAC name of 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) is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol.
What is the SMILES notation for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol?
The canonical SMILES for 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol is CCCCCC[Si](CCCCCC)(CCCCCC)Cc1cc(-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.
What is the InChIKey of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol?
The InChIKey is UCRKLUSQJLGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H105NO2Si/c1-10-13-16-23-30-80(31-24-17-14-11-2,32-25-18-15-12-3)51-58-39-69(63-28-21-19-26-61(63)65-41-59(73(4,5)6)43-67(71(65)78)75-45-52-33-53(46-75)35-54(34-52)47-75)77-70(40-58)64-29-22-20-27-62(64)66-42-60(74(7,8)9)44-68(72(66)79)76-48-55-36-56(49-76)38-57(37-55)50-76/h19-22,26-29,39-44,52-57,78-79H,10-18,23-25,30-38,45-51H2,1-9H3.
What are the key properties of 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol?
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]phenyl]-4-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol has a molecular weight of 1092.77 g/mol, XLogP of 21.96, 23 rotatable bonds, 2 hydrogen bond donors, and 3 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-(trihexylsilylmethyl)-2-pyridinyl]phenyl]-4-tert-butylphenol is sourced from PubChem (CID 176718296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).