4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium

C31H28NO+ — CID 20764928

IUPAC4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
SMILESC=Cc1ccc(COc2ccc(/C=C/c3cc[n+](Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28NO/c1-3-25-5-11-29(12-6-25)23-32-21-19-28(20-22-32)10-9-27-15-17-31(18-16-27)33-24-30-13-7-26(4-2)8-14-30/h3-22H,1-2,23-24H2/q+1/b10-9+
InChIKeyDPHBVQYHHZRVEP-MDZDMXLPSA-N
MW430.57 g/mol
LogP7.06
Rot. Bonds9

About 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium

4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium (PubChem CID 20764928) has the molecular formula C31H28NO+ and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium.

Molecular Properties

Compound Name4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
PubChem CID20764928
Molecular FormulaC31H28NO+
Molecular Weight430.57 g/mol
Exact Mass430.22
IUPAC Name4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
SMILESC=Cc1ccc(COc2ccc(/C=C/c3cc[n+](Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H28NO/c1-3-25-5-11-29(12-6-25)23-32-21-19-28(20-22-32)10-9-27-15-17-31(18-16-27)33-24-30-13-7-26(4-2)8-14-30/h3-22H,1-2,23-24H2/q+1/b10-9+
InChIKeyDPHBVQYHHZRVEP-MDZDMXLPSA-N
XLogP7.06
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
CID 175946212
CID 175946212
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
1-octadecyl-4-[2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium
CID 67810130
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
CID 89231476
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
CID 102507741
bis(1-[(4-ethenylphenyl)methyl]pyridin-1-ium);sulfate
CID 175854868
[4-[(4-ethenylphenyl)methoxy]phenyl]-difluoromethanesulfonic acid
CID 89361568

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium?
The IUPAC name of 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium (CID 20764928) is 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium.
What is the SMILES notation for 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium?
The canonical SMILES for 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium is C=Cc1ccc(COc2ccc(/C=C/c3cc[n+](Cc4ccc(C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium?
The InChIKey is DPHBVQYHHZRVEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C31H28NO/c1-3-25-5-11-29(12-6-25)23-32-21-19-28(20-22-32)10-9-27-15-17-31(18-16-27)33-24-30-13-7-26(4-2)8-14-30/h3-22H,1-2,23-24H2/q+1/b10-9+.
What are the key properties of 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium?
4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium has a molecular weight of 430.57 g/mol, XLogP of 7.06, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 20764928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).