zinc N,N,10,20-tetraphenylporphyrin-22,24-diid-5-amine

Systemtic Name: zinc N,N,10,20-tetraphenylporphyrin-22,24-diid-5-amine Openeye Name: zinc N,N,10,20-tetraphenylporphyrin-22,24-diid-5-amine CAS Name: zinc N,N,10,20-tetraphenyl-5-porphyrin-22,24-diidamine IUPAC Name: zinc N,N,10,20-tetraphenylporphyrin-22,24-diid-5-amine Traditional Name: zinc (10,20-diphenylporphine-22,24-diid-5-yl)-diphenyl-amine Formula: C44H29N5Zn MolecularWeight: 693.14356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C44H29N5.Zn/c1-5-13-30(14-6-1)42-36-23-21-32(45-36)29-33-22-24-37(46-33)43(31-15-7-2-8-16-31)39-26-28-41(48-39)44(40-27-25-38(42)47-40)49(34-17-9-3-10-18-34)35-19-11-4-12-20-35;/h1-29H;/q-2;+2