zinc 2,18-bis(bromanyl)-5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 2,18-bis(bromanyl)-5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide Openeye Name: zinc 2,18-dibromo-5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide CAS Name: zinc 2,18-dibromo-5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 2,18-dibromo-5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide Traditional Name: zinc 2,18-dibromo-5,15-bis(3,5-ditert-butylphenyl)-10-mesityl-porphine-22,23-diide Formula: C57H60Br2N4Zn MolecularWeight: 1026.3301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5Br)C(=C4)Br)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5Br)C(=C4)Br)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C57H60Br2N4.Zn/c1-31-20-32(2)50(33(3)21-31)53-44-18-16-42(60-44)51(34-22-36(54(4,5)6)26-37(23-34)55(7,8)9)48-28-40(58)46(62-48)30-47-41(59)29-49(63-47)52(43-17-19-45(53)61-43)35-24-38(56(10,11)12)27-39(25-35)57(13,14)15;/h16-30H,1-15H3;/q-2;+2