carbanide; N1,N2-dipyridin-3-ylacenaphthylene-1,2-diimine; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: carbanide; N1,N2-dipyridin-3-ylacenaphthylene-1,2-diimine; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: N1,N2-bis(3-pyridyl)acenaphthylene-1,2-diimine; carbanide; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: N1,N2-bis(3-pyridinyl)acenaphthylene-1,2-diimine; carbanide; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: carbanide; 1-N,2-N-dipyridin-3-ylacenaphthylene-1,2-diimine; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: carbanide; palladium(2+); 3-pyridyl-[2-(3-pyridylimino)acenaphthen-1-ylidene]amine; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C55H29BF24N4Pd MolecularWeight: 1319.038237

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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.[CH3-].C1=CC2=C3C(=C1)C(=NC4=CN=CC=C4)C(=NC5=CN=CC=C5)C3=CC=C2.[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.[CH3-].C1=CC2=C3C(=C1)C(=NC4=CN=CC=C4)C(=NC5=CN=CC=C5)C3=CC=C2.[Pd+2]

InChI

InChI=1S/C32H12BF24.C22H14N4.CH3.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;1-5-15-6-2-10-19-20(15)18(9-1)21(25-16-7-3-11-23-13-16)22(19)26-17-8-4-12-24-14-17;;/h1-12H;1-14H;1H3;/q-1;;-1;+2