zinc N5,N15-bis(3,5-ditert-butylphenyl)-10,20-diphenyl-porphyrin-22,24-diide-5,15-diamine

Systemtic Name: zinc N5,N15-bis(3,5-ditert-butylphenyl)-10,20-diphenyl-porphyrin-22,24-diide-5,15-diamine Openeye Name: zinc N5,N15-bis(3,5-ditert-butylphenyl)-10,20-diphenyl-porphyrin-22,24-diide-5,15-diamine CAS Name: zinc N5,N15-bis(3,5-ditert-butylphenyl)-10,20-diphenylporphyrin-22,24-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-bis(3,5-ditert-butylphenyl)-10,20-diphenylporphyrin-22,24-diide-5,15-diamine Traditional Name: zinc [15-(3,5-ditert-butylanilino)-10,20-diphenyl-porphine-22,24-diid-5-yl]-(3,5-ditert-butylphenyl)amine Formula: C60H62N6Zn MolecularWeight: 932.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)NC8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=CC=C9)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)NC8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=CC=C9)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C60H62N6.Zn/c1-57(2,3)39-31-40(58(4,5)6)34-43(33-39)61-55-49-27-23-45(63-49)53(37-19-15-13-16-20-37)47-25-29-51(65-47)56(62-44-35-41(59(7,8)9)32-42(36-44)60(10,11)12)52-30-26-48(66-52)54(38-21-17-14-18-22-38)46-24-28-50(55)64-46;/h13-36,61-62H,1-12H3;/q-2;+2