4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine

C30H28N2O4 — CID 58420851

IUPAC4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1ccc(OC)c(/C=C/c2ccnc(-c3cc(/C=C/c4cc(OC)ccc4OC)ccn3)c2)c1
InChIInChI=1S/C30H28N2O4/c1-33-25-9-11-29(35-3)23(19-25)7-5-21-13-15-31-27(17-21)28-18-22(14-16-32-28)6-8-24-20-26(34-2)10-12-30(24)36-4/h5-20H,1-4H3/b7-5+,8-6+
InChIKeyTYRROXLJNLYWKE-KQQUZDAGSA-N
MW480.56 g/mol
LogP6.52
Rot. Bonds9

About 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine

4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine (PubChem CID 58420851) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine
PubChem CID58420851
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1ccc(OC)c(/C=C/c2ccnc(-c3cc(/C=C/c4cc(OC)ccc4OC)ccn3)c2)c1
InChIInChI=1S/C30H28N2O4/c1-33-25-9-11-29(35-3)23(19-25)7-5-21-13-15-31-27(17-21)28-18-22(14-16-32-28)6-8-24-20-26(34-2)10-12-30(24)36-4/h5-20H,1-4H3/b7-5+,8-6+
InChIKeyTYRROXLJNLYWKE-KQQUZDAGSA-N
XLogP6.52
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine (CID 58420851) is 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine is COc1ccc(OC)c(/C=C/c2ccnc(-c3cc(/C=C/c4cc(OC)ccc4OC)ccn3)c2)c1.
What is the InChIKey of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The InChIKey is TYRROXLJNLYWKE-KQQUZDAGSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-33-25-9-11-29(35-3)23(19-25)7-5-21-13-15-31-27(17-21)28-18-22(14-16-32-28)6-8-24-20-26(34-2)10-12-30(24)36-4/h5-20H,1-4H3/b7-5+,8-6+.
What are the key properties of 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine has a molecular weight of 480.56 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-[4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 58420851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).