4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate

C26H21BF4O2 — CID 52987343

IUPAC4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
SMILESCOc1ccccc1/C=C/c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.F[B-](F)(F)F
InChIInChI=1S/C26H21O2.BF4/c1-27-24-15-9-8-14-23(24)17-16-20-18-25(21-10-4-2-5-11-21)28-26(19-20)22-12-6-3-7-13-22;2-1(3,4)5/h2-19H,1H3;/q+1;-1/b17-16+;
InChIKeyYMIWFRHVVBIWQI-CMBBICFISA-N
MW452.26 g/mol
LogP8.37
Rot. Bonds5

About 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate

4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate (PubChem CID 52987343) has the molecular formula C26H21BF4O2 and a molecular weight of 452.26 g/mol. Its IUPAC name is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate.

Molecular Properties

Compound Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
PubChem CID52987343
Molecular FormulaC26H21BF4O2
Molecular Weight452.26 g/mol
Exact Mass452.16
IUPAC Name4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
SMILESCOc1ccccc1/C=C/c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.F[B-](F)(F)F
InChIInChI=1S/C26H21O2.BF4/c1-27-24-15-9-8-14-23(24)17-16-20-18-25(21-10-4-2-5-11-21)28-26(19-20)22-12-6-3-7-13-22;2-1(3,4)5/h2-19H,1H3;/q+1;-1/b17-16+;
InChIKeyYMIWFRHVVBIWQI-CMBBICFISA-N
XLogP8.37
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.26
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethenyl)-2,6-diphenylpyrylium
CID 101194037
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
4-[(E)-2-[4-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 21177733
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-ethyl-1,3-dimethoxy-5-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]benzene
CID 145435822
2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 3488310
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene;2-[(E)-2-[4-[4-[(E)-2-(2-sulfophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 165096069
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate?
The IUPAC name of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate (CID 52987343) is 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate.
What is the SMILES notation for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate?
The canonical SMILES for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate is COc1ccccc1/C=C/c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.F[B-](F)(F)F.
What is the InChIKey of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate?
The InChIKey is YMIWFRHVVBIWQI-CMBBICFISA-N. The full InChI is InChI=1S/C26H21O2.BF4/c1-27-24-15-9-8-14-23(24)17-16-20-18-25(21-10-4-2-5-11-21)28-26(19-20)22-12-6-3-7-13-22;2-1(3,4)5/h2-19H,1H3;/q+1;-1/b17-16+;.
What are the key properties of 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate?
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate has a molecular weight of 452.26 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate is sourced from PubChem (CID 52987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).