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

C28H24N2O2 — CID 23757815

IUPAC4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1ccccc1/C=C/c1ccnc(-c2cc(/C=C/c3ccccc3OC)ccn2)c1
InChIInChI=1S/C28H24N2O2/c1-31-27-9-5-3-7-23(27)13-11-21-15-17-29-25(19-21)26-20-22(16-18-30-26)12-14-24-8-4-6-10-28(24)32-2/h3-20H,1-2H3/b13-11+,14-12+
InChIKeyGZZFYDNUYQFLHC-PHEQNACWSA-N
MW420.51 g/mol
LogP6.50
Rot. Bonds7

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

4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine (PubChem CID 23757815) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
PubChem CID23757815
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1ccccc1/C=C/c1ccnc(-c2cc(/C=C/c3ccccc3OC)ccn2)c1
InChIInChI=1S/C28H24N2O2/c1-31-27-9-5-3-7-23(27)13-11-21-15-17-29-25(19-21)26-20-22(16-18-30-26)12-14-24-8-4-6-10-28(24)32-2/h3-20H,1-2H3/b13-11+,14-12+
InChIKeyGZZFYDNUYQFLHC-PHEQNACWSA-N
XLogP6.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine (CID 23757815) is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine is COc1ccccc1/C=C/c1ccnc(-c2cc(/C=C/c3ccccc3OC)ccn2)c1.
What is the InChIKey of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The InChIKey is GZZFYDNUYQFLHC-PHEQNACWSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-31-27-9-5-3-7-23(27)13-11-21-15-17-29-25(19-21)26-20-22(16-18-30-26)12-14-24-8-4-6-10-28(24)32-2/h3-20H,1-2H3/b13-11+,14-12+.
What are the key properties of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine has a molecular weight of 420.51 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 23757815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).