copper 5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine

Systemtic Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine Openeye Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine CAS Name: copper 5,10,15,20-tetraphenyl-2-porphyrin-22,24-diidamine IUPAC Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine Traditional Name: cupric (5,10,15,20-tetraphenylporphine-22,24-diid-2-yl)amine Formula: C44H29CuN5 MolecularWeight: 691.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)N)C9=CC=CC=C9)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)N)C9=CC=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C44H29N5.Cu/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31;/h1-27H,45H2;/q-2;+2