Synonyms
SCHEMBL3927270;1011465-24-9;(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee);(11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee);2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide;2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one;
IUPAC Name
10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide;
Molecular Weight
780.547g/mol
Molecular Formula
C36H25F12O4P;
Canonical SMILES
C1CCC2=C(C1)C=C(C3=C2C4=C(C(=CC5=C4CCCC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C36H25F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16H,1-8H2,(H,49,50);
InChI Key
INSXQFYWKHPSHX-UHFFFAOYSA-N;
Complexity
1210
Covalently-Bonded Unit Count
1
Exact Mass
780.13g/mol
H-Bond Acceptor
16
H-Bond Donor
1
Heavy Atom Count
53
Monoisotopic Mass
780.13g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
55.8A^2
