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

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-diphenyl-21,22-dihydroporphyrin diiodide Openeye Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-diphenyl-21,22-dihydroporphyrin diiodide CAS Name: 5,15-bis(1-methyl-4-pyridin-1-iumyl)-10,20-diphenyl-21,22-dihydroporphyrin diiodide IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-diphenyl-21,22-dihydroporphyrin diiodide Traditional Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-diphenyl-21,22-dihydroporphine diiodide Formula: C44H34I2N6 MolecularWeight: 900.5899

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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=CC=C7)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=CC=C9)N3.[I-].[I-]

Isomeric SMILES

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

InChI

InChI=1S/C44H33N6.2HI/c1-49-25-21-31(22-26-49)43-37-17-13-33(45-37)41(29-9-5-3-6-10-29)35-15-19-39(47-35)44(32-23-27-50(2)28-24-32)40-20-16-36(48-40)42(30-11-7-4-8-12-30)34-14-18-38(43)46-34;;/h3-28H,1-2H3,(H,45,46,47,48);2*1H/q+1;;/p-1