2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine

C59H83N3O20 — CID 53255131

IUPAC2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine
SMILESC#Cc1cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C)n3)n2)n1
InChIInChI=1S/C59H83N3O20/c1-6-51-44-57(80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-63-3)46-53(60-51)8-10-55-48-59(82-50-65-5)49-56(62-55)11-9-54-47-58(45-52(7-2)61-54)81-43-41-79-39-37-77-35-33-75-31-29-73-27-25-71-23-21-69-19-17-67-15-13-64-4/h1-2,44-49H,12-43,50H2,3-5H3
InChIKeyLTGJTNUSUMMOHB-UHFFFAOYSA-N
MW1154.31 g/mol
LogP2.90
Rot. Bonds53

About 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine

2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine (PubChem CID 53255131) has the molecular formula C59H83N3O20 and a molecular weight of 1154.31 g/mol. Its IUPAC name is 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine.

Molecular Properties

Compound Name2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine
PubChem CID53255131
Molecular FormulaC59H83N3O20
Molecular Weight1154.31 g/mol
Exact Mass1153.56
IUPAC Name2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine
SMILESC#Cc1cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C)n3)n2)n1
InChIInChI=1S/C59H83N3O20/c1-6-51-44-57(80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-63-3)46-53(60-51)8-10-55-48-59(82-50-65-5)49-56(62-55)11-9-54-47-58(45-52(7-2)61-54)81-43-41-79-39-37-77-35-33-75-31-29-73-27-25-71-23-21-69-19-17-67-15-13-64-4/h1-2,44-49H,12-43,50H2,3-5H3
InChIKeyLTGJTNUSUMMOHB-UHFFFAOYSA-N
XLogP2.90
TPSA223.27 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine?
The IUPAC name of 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine (CID 53255131) is 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine.
What is the SMILES notation for 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine?
The canonical SMILES for 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine is C#Cc1cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#Cc2cc(OCOC)cc(C#Cc3cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)cc(C#C)n3)n2)n1.
What is the InChIKey of 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine?
The InChIKey is LTGJTNUSUMMOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H83N3O20/c1-6-51-44-57(80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-63-3)46-53(60-51)8-10-55-48-59(82-50-65-5)49-56(62-55)11-9-54-47-58(45-52(7-2)61-54)81-43-41-79-39-37-77-35-33-75-31-29-73-27-25-71-23-21-69-19-17-67-15-13-64-4/h1-2,44-49H,12-43,50H2,3-5H3.
What are the key properties of 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine?
2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine has a molecular weight of 1154.31 g/mol, XLogP of 2.90, 53 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]ethynyl]-4-(methoxymethoxy)pyridine is sourced from PubChem (CID 53255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).