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

C28H20N2 — CID 101213643

IUPAC4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
SMILESC(#Cc1ccc(/C=C/c2ccncc2)cc1)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C28H20N2/c1(23-3-7-25(8-4-23)11-13-27-15-19-29-20-16-27)2-24-5-9-26(10-6-24)12-14-28-17-21-30-22-18-28/h3-22H/b13-11+,14-12+
InChIKeySJRFPJVBOFCUDM-PHEQNACWSA-N
MW384.48 g/mol
LogP6.22
Rot. Bonds4

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

4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine (PubChem CID 101213643) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
PubChem CID101213643
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
SMILESC(#Cc1ccc(/C=C/c2ccncc2)cc1)c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C28H20N2/c1(23-3-7-25(8-4-23)11-13-27-15-19-29-20-16-27)2-24-5-9-26(10-6-24)12-14-28-17-21-30-22-18-28/h3-22H/b13-11+,14-12+
InChIKeySJRFPJVBOFCUDM-PHEQNACWSA-N
XLogP6.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
tris[4-[(E)-2-pyridin-4-ylethenyl]phenyl]phosphane
CID 58942141
bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038975
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
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
pyridine;4-(2-pyridin-4-ylethenyl)benzaldehyde
CID 87992660
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine (CID 101213643) is 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine is C(#Cc1ccc(/C=C/c2ccncc2)cc1)c1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine?
The InChIKey is SJRFPJVBOFCUDM-PHEQNACWSA-N. The full InChI is InChI=1S/C28H20N2/c1(23-3-7-25(8-4-23)11-13-27-15-19-29-20-16-27)2-24-5-9-26(10-6-24)12-14-28-17-21-30-22-18-28/h3-22H/b13-11+,14-12+.
What are the key properties of 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine has a molecular weight of 384.48 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 101213643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).