1-diphenylphosphoryl-2,2,2-triphenylethanone

C32H25O2P — CID 141056133

IUPAC1-diphenylphosphoryl-2,2,2-triphenylethanone
SMILESO=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25O2P/c33-31(35(34,29-22-12-4-13-23-29)30-24-14-5-15-25-30)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
InChIKeyKKZUGOXJMLRVPH-UHFFFAOYSA-N
MW472.52 g/mol
LogP6.56
Rot. Bonds7

About 1-diphenylphosphoryl-2,2,2-triphenylethanone

1-diphenylphosphoryl-2,2,2-triphenylethanone (PubChem CID 141056133) has the molecular formula C32H25O2P and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2,2,2-triphenylethanone.

Molecular Properties

Compound Name1-diphenylphosphoryl-2,2,2-triphenylethanone
PubChem CID141056133
Molecular FormulaC32H25O2P
Molecular Weight472.52 g/mol
Exact Mass472.16
IUPAC Name1-diphenylphosphoryl-2,2,2-triphenylethanone
SMILESO=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25O2P/c33-31(35(34,29-22-12-4-13-23-29)30-24-14-5-15-25-30)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
InChIKeyKKZUGOXJMLRVPH-UHFFFAOYSA-N
XLogP6.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
diphenylphosphinic acid chloride
CID 53401992
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
4-(C-diphenylphosphorylcarbonimidoyl)benzoic acid
CID 175302246
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
2-diazo-2-diphenylphosphorylacetamide
CID 137302677
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2,2,2-triphenylethanone?
The IUPAC name of 1-diphenylphosphoryl-2,2,2-triphenylethanone (CID 141056133) is 1-diphenylphosphoryl-2,2,2-triphenylethanone.
What is the SMILES notation for 1-diphenylphosphoryl-2,2,2-triphenylethanone?
The canonical SMILES for 1-diphenylphosphoryl-2,2,2-triphenylethanone is O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-2,2,2-triphenylethanone?
The InChIKey is KKZUGOXJMLRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25O2P/c33-31(35(34,29-22-12-4-13-23-29)30-24-14-5-15-25-30)32(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H.
What are the key properties of 1-diphenylphosphoryl-2,2,2-triphenylethanone?
1-diphenylphosphoryl-2,2,2-triphenylethanone has a molecular weight of 472.52 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2,2,2-triphenylethanone is sourced from PubChem (CID 141056133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).