2,4,6-triphenyl-1-[4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyl]pyridin-1-ium dithiocyanate

Systemtic Name: 2,4,6-triphenyl-1-[4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyl]pyridin-1-ium dithiocyanate Openeye Name: 2,4,6-triphenyl-1-[4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyl]pyridin-1-ium dithiocyanate CAS Name: 2,4,6-triphenyl-1-[4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butyl]pyridin-1-ium dithiocyanate IUPAC Name: 2,4,6-triphenyl-1-[4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyl]pyridin-1-ium dithiocyanate Traditional Name: 2,4,6-triphenyl-1-[4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyl]pyridin-1-ium dithiocyanate Formula: C52H42N4S2 MolecularWeight: 787.04668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C(#N)[S-].C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C(#N)[S-].C(#N)[S-]

InChI

InChI=1S/C50H42N2.2CHNS/c1-7-21-39(22-8-1)45-35-47(41-25-11-3-12-26-41)51(48(36-45)42-27-13-4-14-28-42)33-19-20-34-52-49(43-29-15-5-16-30-43)37-46(40-23-9-2-10-24-40)38-50(52)44-31-17-6-18-32-44;2*2-1-3/h1-18,21-32,35-38H,19-20,33-34H2;2*3H/q+2;;/p-2