zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-amine

Systemtic Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-amine Openeye Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-amine CAS Name: zinc 10,20-bis(3,5-ditert-butylphenyl)-5-porphyrin-22,24-diidamine IUPAC Name: zinc 10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-amine Traditional Name: zinc [10,20-bis(3,5-ditert-butylphenyl)porphine-22,24-diid-5-yl]amine Formula: C48H53N5Zn MolecularWeight: 765.37692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H53N5.Zn/c1-45(2,3)30-21-28(22-31(25-30)46(4,5)6)42-36-15-13-34(50-36)27-35-14-16-37(51-35)43(29-23-32(47(7,8)9)26-33(24-29)48(10,11)12)39-18-20-41(53-39)44(49)40-19-17-38(42)52-40;/h13-27H,49H2,1-12H3;/q-2;+2