2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate

C32H26AsBF4 — CID 10698314

IUPAC2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate
SMILESC(=C(c1ccccc1)c1ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C32H26As.BF4/c1-6-16-27(17-7-1)32(28-18-8-2-9-19-28)26-33(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;2-1(3,4)5/h1-26H;/q+1;-1
InChIKeyXZDABIQFDVQKPL-UHFFFAOYSA-N
MW572.29 g/mol
LogP7.13
Rot. Bonds6

About 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate

2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate (PubChem CID 10698314) has the molecular formula C32H26AsBF4 and a molecular weight of 572.29 g/mol. Its IUPAC name is 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate.

Molecular Properties

Compound Name2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate
PubChem CID10698314
Molecular FormulaC32H26AsBF4
Molecular Weight572.29 g/mol
Exact Mass572.13
IUPAC Name2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate
SMILESC(=C(c1ccccc1)c1ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C32H26As.BF4/c1-6-16-27(17-7-1)32(28-18-8-2-9-19-28)26-33(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;2-1(3,4)5/h1-26H;/q+1;-1
InChIKeyXZDABIQFDVQKPL-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.29
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyl-2-triphenylarsoniumylethenolate
CID 6314512
benzoic acid tritetrafluoroborate
CID 173117311
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
CID 139038108
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
CID 102291546
[1-phenyl-2-(trifluoromethylsulfanyl)ethenyl]benzene
CID 132521031
(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
CID 173126547
CID 173126547
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate?
The IUPAC name of 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate (CID 10698314) is 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate.
What is the SMILES notation for 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate?
The canonical SMILES for 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate is C(=C(c1ccccc1)c1ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate?
The InChIKey is XZDABIQFDVQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26As.BF4/c1-6-16-27(17-7-1)32(28-18-8-2-9-19-28)26-33(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;2-1(3,4)5/h1-26H;/q+1;-1.
What are the key properties of 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate?
2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate has a molecular weight of 572.29 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate is sourced from PubChem (CID 10698314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).