Bis(2-diphenylphosphinophenyl) ether

Details:

 1. Introduction of Bis(2-diphenylphosphinophenyl) ether

 

The Bis(2-diphenylphosphinophenyl) ether, with its CAS NO 166330-10-5, is a kind of white or light yellow powder. It has synonyms of Phosphine,(oxydi-2,1-phenylene)bis[diphenyl- (9CI);(Oxydi-2,1-phenylene)bis[diphenylphosphine];1,1'-Oxybis[2,1-phenylenebis(diphenylphosphine)];[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenyl-phosphane;(Oxydi-2,1-phenylene)bis(diphenylphosphine);phosphine, 1,1'-(oxydi-2,1-phenylene)bis[1,1-diphenyl-;DPEphos and Bis[2-(diphenylphosphino)phenyl] Ether.
 

 

 

2. Properties of Bis(2-diphenylphosphinophenyl) ether

 

(1) XLogP3-AA 8.8  (2) H-Bond Acceptor 1 (3) Rotatable Bond Count 8
(4) Exact Mass 538.161539  (5) MonoIsotopic Mass 538.161539  (6) Topological Polar Surface Area 9.2
(7) Heavy Atom Count 39 (8) Complexity 594 (9) Covalently-Bonded Unit Count 1
(10) Feature 3D Acceptor Count 1 (11) Feature 3D Ring Count 6 (12) Effective Rotor Count 8
(13) Conformer Sampling RMSD 1 (14) CID Conformer Count 45
 

 

3. Structure descriptors of Bis(2-diphenylphosphinophenyl) ether

 

IUPAC Name: [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane

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

Canonical 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