4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine

C35H34N4O5 — CID 89084084

IUPAC4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine
SMILESCCOOCc1ccnc(-c2cc(COOCC)cc(-c3cccc(-c4cc(/C=C/c5ccc(OC)cc5)ccn4)n3)n2)c1
InChIInChI=1S/C35H34N4O5/c1-4-41-43-23-27-16-18-37-33(20-27)35-22-28(24-44-42-5-2)21-34(39-35)31-8-6-7-30(38-31)32-19-26(15-17-36-32)10-9-25-11-13-29(40-3)14-12-25/h6-22H,4-5,23-24H2,1-3H3/b10-9+
InChIKeyAFBVEECXILHLDR-MDZDMXLPSA-N
MW590.68 g/mol
LogP7.38
Rot. Bonds14

About 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine

4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine (PubChem CID 89084084) has the molecular formula C35H34N4O5 and a molecular weight of 590.68 g/mol. Its IUPAC name is 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine
PubChem CID89084084
Molecular FormulaC35H34N4O5
Molecular Weight590.68 g/mol
Exact Mass590.25
IUPAC Name4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine
SMILESCCOOCc1ccnc(-c2cc(COOCC)cc(-c3cccc(-c4cc(/C=C/c5ccc(OC)cc5)ccn4)n3)n2)c1
InChIInChI=1S/C35H34N4O5/c1-4-41-43-23-27-16-18-37-33(20-27)35-22-28(24-44-42-5-2)21-34(39-35)31-8-6-7-30(38-31)32-19-26(15-17-36-32)10-9-25-11-13-29(40-3)14-12-25/h6-22H,4-5,23-24H2,1-3H3/b10-9+
InChIKeyAFBVEECXILHLDR-MDZDMXLPSA-N
XLogP7.38
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine (CID 89084084) is 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine is CCOOCc1ccnc(-c2cc(COOCC)cc(-c3cccc(-c4cc(/C=C/c5ccc(OC)cc5)ccn4)n3)n2)c1.
What is the InChIKey of 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine?
The InChIKey is AFBVEECXILHLDR-MDZDMXLPSA-N. The full InChI is InChI=1S/C35H34N4O5/c1-4-41-43-23-27-16-18-37-33(20-27)35-22-28(24-44-42-5-2)21-34(39-35)31-8-6-7-30(38-31)32-19-26(15-17-36-32)10-9-25-11-13-29(40-3)14-12-25/h6-22H,4-5,23-24H2,1-3H3/b10-9+.
What are the key properties of 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine?
4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine has a molecular weight of 590.68 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylperoxymethyl)-2-[4-(ethylperoxymethyl)-2-pyridinyl]-6-[6-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 89084084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).