(Z)-1-phenyl-2-triphenylarsoniumylethenolate

C26H21AsO — CID 6314512

IUPAC(Z)-1-phenyl-2-triphenylarsoniumylethenolate
SMILES[O-]/C(=C\[As+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21AsO/c28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/b26-21-
InChIKeyDHJAMYNZPIFRSD-QLYXXIJNSA-N
MW424.38 g/mol
LogP3.10
Rot. Bonds5

About (Z)-1-phenyl-2-triphenylarsoniumylethenolate

(Z)-1-phenyl-2-triphenylarsoniumylethenolate (PubChem CID 6314512) has the molecular formula C26H21AsO and a molecular weight of 424.38 g/mol. Its IUPAC name is (Z)-1-phenyl-2-triphenylarsoniumylethenolate.

Molecular Properties

Compound Name(Z)-1-phenyl-2-triphenylarsoniumylethenolate
PubChem CID6314512
Molecular FormulaC26H21AsO
Molecular Weight424.38 g/mol
Exact Mass424.08
IUPAC Name(Z)-1-phenyl-2-triphenylarsoniumylethenolate
SMILES[O-]/C(=C\[As+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21AsO/c28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/b26-21-
InChIKeyDHJAMYNZPIFRSD-QLYXXIJNSA-N
XLogP3.10
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenylethenyl(triphenyl)arsanium tetrafluoroborate
CID 10698314
(E)-2-fluoro-1-phenylethenolate
CID 135042724
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
aluminum dibenzoate
CID 18679092
CID 50937319
CID 50937319
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
sodium N-hydroxybenzenecarboximidate
CID 141386787
dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate
CID 139118447
(Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate
CID 14818454
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-triphenylarsoniumylethenolate?
The IUPAC name of (Z)-1-phenyl-2-triphenylarsoniumylethenolate (CID 6314512) is (Z)-1-phenyl-2-triphenylarsoniumylethenolate.
What is the SMILES notation for (Z)-1-phenyl-2-triphenylarsoniumylethenolate?
The canonical SMILES for (Z)-1-phenyl-2-triphenylarsoniumylethenolate is [O-]/C(=C\[As+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-2-triphenylarsoniumylethenolate?
The InChIKey is DHJAMYNZPIFRSD-QLYXXIJNSA-N. The full InChI is InChI=1S/C26H21AsO/c28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/b26-21-.
What are the key properties of (Z)-1-phenyl-2-triphenylarsoniumylethenolate?
(Z)-1-phenyl-2-triphenylarsoniumylethenolate has a molecular weight of 424.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-2-triphenylarsoniumylethenolate is sourced from PubChem (CID 6314512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).