5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione

C28H21O3P — CID 102146134

IUPAC5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21O3P/c29-25-26(21-13-5-1-6-14-21)31-28(30)27(25)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,26H
InChIKeyWRZVFVZUBBQNCF-UHFFFAOYSA-N
MW436.45 g/mol
LogP4.02
Rot. Bonds4

About 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione

5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione (PubChem CID 102146134) has the molecular formula C28H21O3P and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
PubChem CID102146134
Molecular FormulaC28H21O3P
Molecular Weight436.45 g/mol
Exact Mass436.12
IUPAC Name5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
SMILESO=C1OC(c2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21O3P/c29-25-26(21-13-5-1-6-14-21)31-28(30)27(25)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,26H
InChIKeyWRZVFVZUBBQNCF-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione?
The IUPAC name of 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione (CID 102146134) is 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione.
What is the SMILES notation for 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione?
The canonical SMILES for 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione is O=C1OC(c2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione?
The InChIKey is WRZVFVZUBBQNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21O3P/c29-25-26(21-13-5-1-6-14-21)31-28(30)27(25)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,26H.
What are the key properties of 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione?
5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione has a molecular weight of 436.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione is sourced from PubChem (CID 102146134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).