[(eta-4-Cycloocta-1,5-diene)((S)-2-{2-[(diphenylphosphino)methyl]pyrrolidin-1-yl}benzo[d]oxazole)iridium(I)] Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

SpectraBase Compound ID	8OoS0hMF6qg
InChI	InChI=1S/C32H12BF24.C24H23N2OP.C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-11-20(12-4-1)28(21-13-5-2-6-14-21)18-19-10-9-17-26(19)24-25-22-15-7-8-16-23(22)27-24;1-2-4-6-8-7-5-3-1;/h1-12H;1-8,11-16,19H,9-10,17-18H2;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;19-;;/m.0../s1
InChIKey	BKSILFSSOZFLOK-GBRAEKAYSA-N Google Search
Mol Weight	1550.1 g/mol
Molecular Formula	C64H47BF24IrN2OP
Exact Mass	1550.276506 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5jb7pf7nAjB
Name	[(eta-4-Cycloocta-1,5-diene)((S)-2-{2-[(diphenylphosphino)methyl]pyrrolidin-1-yl}benzo[d]oxazole)iridium(I)] Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C64H47BF24IrN2OP
InChI	InChI=1S/C32H12BF24.C24H23N2OP.C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-11-20(12-4-1)28(21-13-5-2-6-14-21)18-19-10-9-17-26(19)24-25-22-15-7-8-16-23(22)27-24;1-2-4-6-8-7-5-3-1;/h1-12H;1-8,11-16,19H,9-10,17-18H2;1-2,7-8H,3-6H2;/q-1;;;+1/b;;2-1-,8-7-;/t;19-;;/m.0../s1
InChIKey	BKSILFSSOZFLOK-GBRAEKAYSA-N
Molecular Weight	1550.056 g/mol
SMILES	C1\C=C/CC\C=C/C1.c1(oc2c(n1)cccc2)N1CCC[C@]1(CP(c1ccccc1)c1ccccc1)[H].[Ir+].c1([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(cc(c1)C(F)(F)F)C(F)(F)F
SPLASH	splash10-000i-0000029000-422ffa3a526e5d134be2
Source of Spectrum	H-95-2189-(S)_CN1
Wiley ID	1784244