bis[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methanone dihexafluorophosphate

Systemtic Name: bis[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methanone dihexafluorophosphate Openeye Name: bis[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methanone dihexafluorophosphate CAS Name: bis[4-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methanone dihexafluorophosphate IUPAC Name: bis[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methanone dihexafluorophosphate Traditional Name: bis[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methanone dihexafluorophosphate Formula: C35H28F12N4OP2 MolecularWeight: 810.55138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C[N+]5=CC=C(C=C5)C6=CC=NC=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C[N+]5=CC=C(C=C5)C6=CC=NC=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C35H28N4O.2F6P/c40-35(33-5-1-27(2-6-33)25-38-21-13-31(14-22-38)29-9-17-36-18-10-29)34-7-3-28(4-8-34)26-39-23-15-32(16-24-39)30-11-19-37-20-12-30;2*1-7(2,3,4,5)6/h1-24H,25-26H2;;/q+2;2*-1