Synonyms
666826-16-0;Bis(1,5-cyclooctadiene)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate;Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate;DTXSID10746220;PUBCHEM_71310531;MFCD10567389;BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I)TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE,98%;
IUPAC Name
(1Z,5Z)-cycloocta-1,5-diene;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;
Molecular Weight
1271.805g/mol
Molecular Formula
C48H36BF24Ir-;
Canonical SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir];
InChI
InChI=1S/C32H12BF24.2C8H12.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;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;/b;2*2-1-,8-7-;;
InChI Key
ZFOUGNAJKPZBPO-AUUWQFPRSA-N;
Complexity
1120
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
4
Exact Mass
1272.216g/mol
Formal Charge
-1
H-Bond Acceptor
25
Heavy Atom Count
74
Monoisotopic Mass
1272.216g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
0A^2
