5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22-dihydroporphine Formula: C44H42N4O4 MolecularWeight: 690.82868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8OCC(CO8)(C)C)C=C4)C9=CC=CC=C9)N3)C

Isomeric SMILES

CC1(COC(OC1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8OCC(CO8)(C)C)C=C4)C9=CC=CC=C9)N3)C

InChI

InChI=1S/C44H42N4O4/c1-43(2)23-49-41(50-24-43)39-33-19-15-29(45-33)37(27-11-7-5-8-12-27)31-17-21-35(47-31)40(42-51-25-44(3,4)26-52-42)36-22-18-32(48-36)38(28-13-9-6-10-14-28)30-16-20-34(39)46-30/h5-22,41-42,45-46H,23-26H2,1-4H3