2-[[4-[1-(phenazin-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine dihexafluorophosphate

Systemtic Name: 2-[[4-[1-(phenazin-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine dihexafluorophosphate Openeye Name: 2-[[4-[1-(phenazin-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine dihexafluorophosphate CAS Name: 2-[[4-[1-(2-phenazinylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]methyl]phenazine dihexafluorophosphate IUPAC Name: 2-[[4-[1-(phenazin-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine dihexafluorophosphate Traditional Name: 2-[[4-[1-(phenazin-2-ylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenazine dihexafluorophosphate Formula: C36H26F12N6P2 MolecularWeight: 832.5602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CC6=CC7=NC8=CC=CC=C8N=C7C=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CC6=CC7=NC8=CC=CC=C8N=C7C=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C36H26N6.2F6P/c1-3-7-31-29(5-1)37-33-11-9-25(21-35(33)39-31)23-41-17-13-27(14-18-41)28-15-19-42(20-16-28)24-26-10-12-34-36(22-26)40-32-8-4-2-6-30(32)38-34;2*1-7(2,3,4,5)6/h1-22H,23-24H2;;/q+2;2*-1