tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane

C71H111N3O20Si2 — CID 53255130

IUPACtert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C[Si](C)(C)C(C)(C)C)n3)n2)nc(C#C[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C71H111N3O20Si2/c1-70(2,3)95(10,11)52-18-65-58-67(92-50-48-90-46-44-88-42-40-86-38-36-84-34-32-82-30-28-80-26-24-78-22-20-75-7)54-61(73-65)14-16-63-56-69(94-60-77-9)57-64(72-63)17-15-62-55-68(59-66(74-62)19-53-96(12,13)71(4,5)6)93-51-49-91-47-45-89-43-41-87-39-37-85-35-33-83-31-29-81-27-25-79-23-21-76-8/h54-59H,20-51,60H2,1-13H3
InChIKeyUJACYQCLPOZYPX-UHFFFAOYSA-N
MW1382.84 g/mol
LogP7.74
Rot. Bonds53

About tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane

tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane (PubChem CID 53255130) has the molecular formula C71H111N3O20Si2 and a molecular weight of 1382.84 g/mol. Its IUPAC name is tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane
PubChem CID53255130
Molecular FormulaC71H111N3O20Si2
Molecular Weight1382.84 g/mol
Exact Mass1381.73
IUPAC Nametert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C[Si](C)(C)C(C)(C)C)n3)n2)nc(C#C[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C71H111N3O20Si2/c1-70(2,3)95(10,11)52-18-65-58-67(92-50-48-90-46-44-88-42-40-86-38-36-84-34-32-82-30-28-80-26-24-78-22-20-75-7)54-61(73-65)14-16-63-56-69(94-60-77-9)57-64(72-63)17-15-62-55-68(59-66(74-62)19-53-96(12,13)71(4,5)6)93-51-49-91-47-45-89-43-41-87-39-37-85-35-33-83-31-29-81-27-25-79-23-21-76-8/h54-59H,20-51,60H2,1-13H3
InChIKeyUJACYQCLPOZYPX-UHFFFAOYSA-N
XLogP7.74
TPSA223.27 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.84
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane (CID 53255130) is tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane is COCCOCCOCCOCCOCCOCCOCCOCCOc1cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C[Si](C)(C)C(C)(C)C)n3)n2)nc(C#C[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane?
The InChIKey is UJACYQCLPOZYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H111N3O20Si2/c1-70(2,3)95(10,11)52-18-65-58-67(92-50-48-90-46-44-88-42-40-86-38-36-84-34-32-82-30-28-80-26-24-78-22-20-75-7)54-61(73-65)14-16-63-56-69(94-60-77-9)57-64(72-63)17-15-62-55-68(59-66(74-62)19-53-96(12,13)71(4,5)6)93-51-49-91-47-45-89-43-41-87-39-37-85-35-33-83-31-29-81-27-25-79-23-21-76-8/h54-59H,20-51,60H2,1-13H3.
What are the key properties of tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane?
tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane has a molecular weight of 1382.84 g/mol, XLogP of 7.74, 53 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[6-[2-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)-2-pyridinyl]ethynyl]-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-dimethylsilane is sourced from PubChem (CID 53255130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).