4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine

C36H40N2O6 — CID 102398908

IUPAC4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
SMILESC(=C/c1ccc(OCCOCCOCCOCCOCCOc2ccc(/C=C/c3ccncc3)cc2)cc1)\c1ccncc1
InChIInChI=1S/C36H40N2O6/c1(3-33-13-17-37-18-14-33)31-5-9-35(10-6-31)43-29-27-41-25-23-39-21-22-40-24-26-42-28-30-44-36-11-7-32(8-12-36)2-4-34-15-19-38-20-16-34/h1-20H,21-30H2/b3-1+,4-2+
InChIKeyDPKWWVUIYAJXCR-ZPUQHVIOSA-N
MW596.72 g/mol
LogP6.34
Rot. Bonds21

About 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine

4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine (PubChem CID 102398908) has the molecular formula C36H40N2O6 and a molecular weight of 596.72 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
PubChem CID102398908
Molecular FormulaC36H40N2O6
Molecular Weight596.72 g/mol
Exact Mass596.29
IUPAC Name4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
SMILESC(=C/c1ccc(OCCOCCOCCOCCOCCOc2ccc(/C=C/c3ccncc3)cc2)cc1)\c1ccncc1
InChIInChI=1S/C36H40N2O6/c1(3-33-13-17-37-18-14-33)31-5-9-35(10-6-31)43-29-27-41-25-23-39-21-22-40-24-26-42-28-30-44-36-11-7-32(8-12-36)2-4-34-15-19-38-20-16-34/h1-20H,21-30H2/b3-1+,4-2+
InChIKeyDPKWWVUIYAJXCR-ZPUQHVIOSA-N
XLogP6.34
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 ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
4-[6-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]hexoxy]benzoic acid
CID 102014240
4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
CID 69499097
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
1-(2-nitroethenyl)-4-[2-[2-[2-[4-(2-nitroethenyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 123651558
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
CID 102322507
N-[4-(2-fluoroethoxy)phenyl]-4-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 130185240
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
4-[3-(dimethylamino)propoxy]benzaldehyde;pyridine-4-carbaldehyde
CID 158129131

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine (CID 102398908) is 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine is C(=C/c1ccc(OCCOCCOCCOCCOCCOc2ccc(/C=C/c3ccncc3)cc2)cc1)\c1ccncc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine?
The InChIKey is DPKWWVUIYAJXCR-ZPUQHVIOSA-N. The full InChI is InChI=1S/C36H40N2O6/c1(3-33-13-17-37-18-14-33)31-5-9-35(10-6-31)43-29-27-41-25-23-39-21-22-40-24-26-42-28-30-44-36-11-7-32(8-12-36)2-4-34-15-19-38-20-16-34/h1-20H,21-30H2/b3-1+,4-2+.
What are the key properties of 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine?
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine has a molecular weight of 596.72 g/mol, XLogP of 6.34, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine is sourced from PubChem (CID 102398908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).