zinc N5,N15-bis(4-chlorophenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine

Systemtic Name: zinc N5,N15-bis(4-chlorophenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine Openeye Name: zinc N5,N15-bis(4-chlorophenyl)-10,20-diphenyl-porphyrin-21,22-diide-5,15-diamine CAS Name: zinc N5,N15-bis(4-chlorophenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-bis(4-chlorophenyl)-10,20-diphenylporphyrin-21,22-diide-5,15-diamine Traditional Name: zinc [15-(4-chloroanilino)-10,20-diphenyl-porphine-21,22-diid-5-yl]-(4-chlorophenyl)amine Formula: C44H28Cl2N6Zn MolecularWeight: 777.04832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)NC7=CC=C(C=C7)Cl)C8=CC=CC=C8)NC9=CC=C(C=C9)Cl)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)NC7=CC=C(C=C7)Cl)C8=CC=CC=C8)NC9=CC=C(C=C9)Cl)[N-]3.[Zn+2]

InChI

InChI=1S/C44H28Cl2N6.Zn/c45-29-11-15-31(16-12-29)47-43-37-23-19-33(49-37)41(27-7-3-1-4-8-27)34-20-24-38(50-34)44(48-32-17-13-30(46)14-18-32)40-26-22-36(52-40)42(28-9-5-2-6-10-28)35-21-25-39(43)51-35;/h1-26,47-48H;/q-2;+2