zinc 10,20-diphenyl-N5,N15-bis[4-(trifluoromethyl)phenyl]porphyrin-21,22-diide-5,15-diamine

Systemtic Name: zinc 10,20-diphenyl-N5,N15-bis[4-(trifluoromethyl)phenyl]porphyrin-21,22-diide-5,15-diamine Openeye Name: zinc 10,20-diphenyl-N5,N15-bis[4-(trifluoromethyl)phenyl]porphyrin-21,22-diide-5,15-diamine CAS Name: zinc 10,20-diphenyl-N5,N15-bis[4-(trifluoromethyl)phenyl]porphyrin-21,22-diide-5,15-diamine IUPAC Name: zinc 10,20-diphenyl-5-N,15-N-bis[4-(trifluoromethyl)phenyl]porphyrin-21,22-diide-5,15-diamine Traditional Name: zinc [10,20-diphenyl-15-[4-(trifluoromethyl)anilino]porphine-21,22-diid-5-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C46H28F6N6Zn MolecularWeight: 844.154139

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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)C(F)(F)F)C8=CC=CC=C8)NC9=CC=C(C=C9)C(F)(F)F)[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)C(F)(F)F)C8=CC=CC=C8)NC9=CC=C(C=C9)C(F)(F)F)[N-]3.[Zn+2]

InChI

InChI=1S/C46H28F6N6.Zn/c47-45(48,49)29-11-15-31(16-12-29)53-43-37-23-19-33(55-37)41(27-7-3-1-4-8-27)34-20-24-38(56-34)44(54-32-17-13-30(14-18-32)46(50,51)52)40-26-22-36(58-40)42(28-9-5-2-6-10-28)35-21-25-39(43)57-35;/h1-26,53-54H;/q-2;+2