Synonyms
MFCD16294983;849950-56-7;[Rh COD (R)-Phanephos]BF4;[Rh COD (R)-Phanephos]BF4, Rh 11.8%;(S)-(+)-4,12-Bis(diphenylphosphino)[2.2]paracyclophane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate;[(R)-4,12-Bis(diphenylphosphino)[2.2]paracyclophane](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate;
IUPAC Name
(1Z,5Z)-cycloocta-1,5-diene;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;rhodium;tetrafluoroborate;
Molecular Weight
874.553g/mol
Molecular Formula
C48H46BF4P2Rh-;
Canonical SMILES
[B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC2=C(C=C(CCC3=C(C=C1C=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)P(C6=CC=CC=C6)C7=CC=CC=C7.[Rh];
InChI
InChI=1S/C40H34P2.C8H12.BF4.Rh/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-22,25-26,29-30H,23-24,27-28H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;;
InChI Key
OBYSVBUVKOIHEY-ONEVTFJLSA-N;
Complexity
775
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
2
Exact Mass
874.216g/mol
Formal Charge
-1
H-Bond Acceptor
5
Heavy Atom Count
56
Monoisotopic Mass
874.216g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
0A^2
