5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-4-pyridin-1-iumyl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-pyridyl)-21,22-dihydroporphine Formula: C42H32N8+2 MolecularWeight: 648.75708

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C42H31N8/c1-49-23-15-29(16-24-49)41-35-7-3-31(45-35)39(27-11-19-43-20-12-27)33-5-9-37(47-33)42(30-17-25-50(2)26-18-30)38-10-6-34(48-38)40(28-13-21-44-22-14-28)32-4-8-36(41)46-32/h3-26H,1-2H3,(H,45,46,47,48)/q+1/p+1