(Z)-1-phenyl-2-triphenylphosphaniumylethenolate

C26H21OP — CID 6314514

IUPAC(Z)-1-phenyl-2-triphenylphosphaniumylethenolate
SMILES[O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(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-
InChIKeyMZRSAJZDYIISJW-QLYXXIJNSA-N
MW380.43 g/mol
LogP4.34
Rot. Bonds5

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

(Z)-1-phenyl-2-triphenylphosphaniumylethenolate (PubChem CID 6314514) has the molecular formula C26H21OP and a molecular weight of 380.43 g/mol. Its IUPAC name is (Z)-1-phenyl-2-triphenylphosphaniumylethenolate.

Molecular Properties

Compound Name(Z)-1-phenyl-2-triphenylphosphaniumylethenolate
PubChem CID6314514
Molecular FormulaC26H21OP
Molecular Weight380.43 g/mol
Exact Mass380.13
IUPAC Name(Z)-1-phenyl-2-triphenylphosphaniumylethenolate
SMILES[O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(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-
InChIKeyMZRSAJZDYIISJW-QLYXXIJNSA-N
XLogP4.34
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-triphenylphosphaniumylethenolate?
The IUPAC name of (Z)-1-phenyl-2-triphenylphosphaniumylethenolate (CID 6314514) is (Z)-1-phenyl-2-triphenylphosphaniumylethenolate.
What is the SMILES notation for (Z)-1-phenyl-2-triphenylphosphaniumylethenolate?
The canonical SMILES for (Z)-1-phenyl-2-triphenylphosphaniumylethenolate is [O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-2-triphenylphosphaniumylethenolate?
The InChIKey is MZRSAJZDYIISJW-QLYXXIJNSA-N. The full InChI is InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(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-triphenylphosphaniumylethenolate?
(Z)-1-phenyl-2-triphenylphosphaniumylethenolate has a molecular weight of 380.43 g/mol, XLogP of 4.34, 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-triphenylphosphaniumylethenolate is sourced from PubChem (CID 6314514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).