copper 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide

Systemtic Name: copper 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide Openeye Name: copper 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide CAS Name: copper 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide IUPAC Name: copper 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide Traditional Name: cupric 2-deuterio-5,10,15,20-tetraphenyl-2,3-dihydroporphine-22,24-diide Formula: C44H30CuN4 MolecularWeight: 679.287962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

[2H]C1CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C44H30N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-25,27H,26,28H2;/q-2;+2/i26D;