1-[3,6,7,10,11-penta(pyridin-1-ium-1-yl)triphenylen-2-yl]pyridin-1-ium

Systemtic Name: 1-[3,6,7,10,11-penta(pyridin-1-ium-1-yl)triphenylen-2-yl]pyridin-1-ium Openeye Name: 1-[3,6,7,10,11-penta(pyridin-1-ium-1-yl)triphenylen-2-yl]pyridin-1-ium CAS Name: 1-[3,6,7,10,11-pentakis(1-pyridin-1-iumyl)-2-triphenylenyl]pyridin-1-ium IUPAC Name: 1-[3,6,7,10,11-penta(pyridin-1-ium-1-yl)triphenylen-2-yl]pyridin-1-ium Traditional Name: 1-[3,6,7,10,11-penta(pyridin-1-ium-1-yl)triphenylen-2-yl]pyridin-1-ium Formula: C48H36N6+6 MolecularWeight: 696.83964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)[N+]6=CC=CC=C6)[N+]7=CC=CC=C7)[N+]8=CC=CC=C8)[N+]9=CC=CC=C9)[N+]1=CC=CC=C1

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)[N+]6=CC=CC=C6)[N+]7=CC=CC=C7)[N+]8=CC=CC=C8)[N+]9=CC=CC=C9)[N+]1=CC=CC=C1

InChI

InChI=1S/C48H36N6/c1-7-19-49(20-8-1)43-31-37-38(32-44(43)50-21-9-2-10-22-50)40-34-46(52-25-13-4-14-26-52)48(54-29-17-6-18-30-54)36-42(40)41-35-47(53-27-15-5-16-28-53)45(33-39(37)41)51-23-11-3-12-24-51/h1-36H/q+6