zinc 5,15-bis(bromanyl)-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis(bromanyl)-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide Openeye Name: zinc 5,15-dibromo-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide CAS Name: zinc 5,15-dibromo-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-dibromo-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,23-diide Traditional Name: zinc 5,15-dibromo-10,20-bis(3,5-ditert-butylphenyl)porphine-22,23-diide Formula: C48H50Br2N4Zn MolecularWeight: 908.1544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)Br)C=C5)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)Br)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)Br)C=C5)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)Br)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C48H50Br2N4.Zn/c1-45(2,3)29-21-27(22-30(25-29)46(4,5)6)41-33-13-17-37(51-33)43(49)39-19-15-35(53-39)42(28-23-31(47(7,8)9)26-32(24-28)48(10,11)12)36-16-20-40(54-36)44(50)38-18-14-34(41)52-38;/h13-26H,1-12H3;/q-2;+2