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845821-92-3 molecular structure
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{2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane

ChemBase ID: 141510
Molecular Formular: C37H28OP2
Molecular Mass: 550.565142
Monoisotopic Mass: 550.16153878
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
Canonical SMILES:
O=C(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C37H28OP2/c38-37(33-25-13-15-27-35(33)39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)34-26-14-16-28-36(34)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKey:
RKNMFQXZZRUBQH-UHFFFAOYSA-N

Cite this record

CBID:141510 http://www.chembase.cn/molecule-141510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane
IUPAC Traditional name
{2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane
Synonyms
Bis[2-(diphenylphosphino)phenyl]methanone
2,2′ Bis(diphenylphosphino)benzophenone
DPBP-bidentate phosphine
2,2′-双(二苯基磷)二苯酮
CAS Number
845821-92-3
MDL Number
MFCD11045384
PubChem SID
162235744
PubChem CID
11528084

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
692344 external link Add to cart Please log in.
Data Source Data ID
PubChem 11528084 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.388  LogD (pH = 7.4) 9.388 
Log P 9.388  Molar Refractivity 167.7633 cm3
Polarizability 65.93671 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152-156 °C expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C37H28OP2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 692344 external link
Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US7473793
Application
Reactant for benzophenone-derived catalysts1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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