1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate

C33H28OP- — CID 101201870

IUPAC1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate
SMILES[O-]C(CC=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28OP/c34-33(28-16-6-1-7-17-28,29-18-8-2-9-19-29)26-27-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,27H,26H2/q-1
InChIKeyFFGDOWZZGDUVIK-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.48
Rot. Bonds7

About 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate

1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate (PubChem CID 101201870) has the molecular formula C33H28OP- and a molecular weight of 471.56 g/mol. Its IUPAC name is 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate.

Molecular Properties

Compound Name1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate
PubChem CID101201870
Molecular FormulaC33H28OP-
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Name1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate
SMILES[O-]C(CC=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28OP/c34-33(28-16-6-1-7-17-28,29-18-8-2-9-19-29)26-27-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,27H,26H2/q-1
InChIKeyFFGDOWZZGDUVIK-UHFFFAOYSA-N
XLogP5.48
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
CID 12864161
lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
CID 23673071
potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
CID 23669925
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
2,2,2-triphenylethylsulfanium bromide
CID 172851267
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
CID 174781016
tris(2,2,2-triphenylethanolate);yttrium(3+)
CID 160643710
2,2,2-triphenylethylphosphanium chloride
CID 21496958
dimagnesium;diphenylmethanediolate;dichloride
CID 162464569
cyclopentylmethylidene(triphenyl)-lambda5-phosphane
CID 14064941

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate?
The IUPAC name of 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate (CID 101201870) is 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate.
What is the SMILES notation for 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate?
The canonical SMILES for 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate is [O-]C(CC=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate?
The InChIKey is FFGDOWZZGDUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28OP/c34-33(28-16-6-1-7-17-28,29-18-8-2-9-19-29)26-27-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,27H,26H2/q-1.
What are the key properties of 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate?
1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate has a molecular weight of 471.56 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate is sourced from PubChem (CID 101201870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).