5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine

C36H40N2O6 — CID 91583196

IUPAC5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine
SMILESC=CCOCCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCCOCC=C)cn2)nc1
InChIInChI=1S/C36H40N2O6/c1-3-17-39-19-21-41-23-25-43-35-11-7-5-9-31(35)29-13-15-33(37-27-29)34-16-14-30(28-38-34)32-10-6-8-12-36(32)44-26-24-42-22-20-40-18-4-2/h3-16,27-28H,1-2,17-26H2
InChIKeyFEZHDIBKVDJNNK-UHFFFAOYSA-N
MW596.72 g/mol
LogP6.67
Rot. Bonds21

About 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine

5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine (PubChem CID 91583196) has the molecular formula C36H40N2O6 and a molecular weight of 596.72 g/mol. Its IUPAC name is 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine
PubChem CID91583196
Molecular FormulaC36H40N2O6
Molecular Weight596.72 g/mol
Exact Mass596.29
IUPAC Name5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine
SMILESC=CCOCCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCCOCC=C)cn2)nc1
InChIInChI=1S/C36H40N2O6/c1-3-17-39-19-21-41-23-25-43-35-11-7-5-9-31(35)29-13-15-33(37-27-29)34-16-14-30(28-38-34)32-10-6-8-12-36(32)44-26-24-42-22-20-40-18-4-2/h3-16,27-28H,1-2,17-26H2
InChIKeyFEZHDIBKVDJNNK-UHFFFAOYSA-N
XLogP6.67
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.72
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine (CID 91583196) is 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine is C=CCOCCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCCOCC=C)cn2)nc1.
What is the InChIKey of 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine?
The InChIKey is FEZHDIBKVDJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O6/c1-3-17-39-19-21-41-23-25-43-35-11-7-5-9-31(35)29-13-15-33(37-27-29)34-16-14-30(28-38-34)32-10-6-8-12-36(32)44-26-24-42-22-20-40-18-4-2/h3-16,27-28H,1-2,17-26H2.
What are the key properties of 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine?
5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine has a molecular weight of 596.72 g/mol, XLogP of 6.67, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-[5-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 91583196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).