5-ethylcyclohexa-1,3-diene; palladium(2+); 2-pyridin-2-ylpyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: 5-ethylcyclohexa-1,3-diene; palladium(2+); 2-pyridin-2-ylpyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: 5-ethylcyclohexa-1,3-diene; palladium(2+); 2-(2-pyridyl)pyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: 5-ethylcyclohexa-1,3-diene; palladium(2+); 2-(2-pyridinyl)pyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: 5-ethylcyclohexa-1,3-diene; palladium(2+); 2-pyridin-2-ylpyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: 5-ethylcyclohexa-1,3-diene; palladium(2+); 2-(2-pyridyl)pyridine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C50H29BF24N2Pd+ MolecularWeight: 1230.971337

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Descriptors Computed from Structure

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.C[CH][C]1C=CC=C[CH]1.C1=CC=NC(=C1)C2=CC=CC=N2.[Pd+2]

Isomeric 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.C[CH][C]1C=CC=C[CH]1.C1=CC=NC(=C1)C2=CC=CC=N2.[Pd+2]

InChI

InChI=1S/C32H12BF24.C10H8N2.C8H9.Pd/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;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-6-4-3-5-7-8;/h1-12H;1-8H;2-7H,1H3;/q-1;;;+2