2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine

C27H21N3 — CID 5076981

IUPAC2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
SMILESC(=Cc1ccccn1)c1cc(C=Cc2ccccn2)cc(C=Cc2ccccn2)c1
InChIInChI=1S/C27H21N3/c1-4-16-28-25(7-1)13-10-22-19-23(11-14-26-8-2-5-17-29-26)21-24(20-22)12-15-27-9-3-6-18-30-27/h1-21H
InChIKeyVSXAYMMWOHMLTH-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.38
Rot. Bonds6

About 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine

2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine (PubChem CID 5076981) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
PubChem CID5076981
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
SMILESC(=Cc1ccccn1)c1cc(C=Cc2ccccn2)cc(C=Cc2ccccn2)c1
InChIInChI=1S/C27H21N3/c1-4-16-28-25(7-1)13-10-22-19-23(11-14-26-8-2-5-17-29-26)21-24(20-22)12-15-27-9-3-6-18-30-27/h1-21H
InChIKeyVSXAYMMWOHMLTH-UHFFFAOYSA-N
XLogP6.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
CID 173388059
2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride
CID 68799721
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696
3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol
CID 91123547
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine?
The IUPAC name of 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine (CID 5076981) is 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine is C(=Cc1ccccn1)c1cc(C=Cc2ccccn2)cc(C=Cc2ccccn2)c1.
What is the InChIKey of 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine?
The InChIKey is VSXAYMMWOHMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-4-16-28-25(7-1)13-10-22-19-23(11-14-26-8-2-5-17-29-26)21-24(20-22)12-15-27-9-3-6-18-30-27/h1-21H.
What are the key properties of 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine?
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine has a molecular weight of 387.49 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 5076981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).