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Bis (2-diphenylphosphinophenyl) ether

CAT: 0926-FD33119-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FD33119-01Size:10 g
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CAS Number
166330-10-5
Synonyms
DPEPhos; (Oxydi-2,1-phenylene) bis (diphenylphosphine)
MDL Number
MFCD00233863
Smiles
C1=CC=C (C=C1) P (C2=CC=CC=C2) C3=CC=CC=C3OC4=CC=CC=C4P (C5=CC=CC=C5) C6=CC=CC=C6
Molecular Formula
C36H28OP2
Molecular Weight
538.55 g/mol
Controlled
No

Chemical Information

Bis[2-(diphenylphosphino)phenyl] ether

See also: Bis((diphenylphosphino)phenyl)ether (annotation moved to).

CAS Number166330-10-5
PubChem CID4285986
IUPAC Name[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
Molecular FormulaC36H28OP2
Molecular Weight538.6
XLogP8.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity594
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3OC4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKey
RYXZOQOZERSHHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis[2-(diphenylphosphino)phenyl] ether
CAS: 166330-10-5
CID: 4285986
Formula: C36H28OP2
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.6
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass538.16153951
Monoisotopic Mass538.16153951
Topological Polar Surface Area9.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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273226-01Bis (2-Diphenylphosphinophenyl) ether
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sc-268874Dichloro[bis (diphenylphosphinophenyl) ether]palladium (II), Pd 14.8%
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