zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-(4-piperidin-1-ylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-(4-piperidin-1-ylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-[4-(1-piperidyl)phenyl]porphyrin-23,24-diide CAS Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-[4-(1-piperidinyl)phenyl]porphyrin-23,24-diide IUPAC Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-(4-piperidin-1-ylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-(4-piperidinophenyl)porphine-23,24-diide Formula: C73H101N5Zn MolecularWeight: 1114.02554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)N8CCCCC8)C.[Zn+2]

Isomeric SMILES

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)N8CCCCC8)C.[Zn+2]

InChI

InChI=1S/C73H101N5.Zn/c1-15-19-23-28-34-58-49(5)68-66(53-38-40-57(41-39-53)78-42-32-27-33-43-78)69-50(6)59(35-29-24-20-16-2)63(75-69)48-65-61(37-31-26-22-18-4)52(8)71(77-65)67(54-44-55(72(9,10)11)46-56(45-54)73(12,13)14)70-51(7)60(36-30-25-21-17-3)64(76-70)47-62(58)74-68;/h38-41,44-48H,15-37,42-43H2,1-14H3;/q-2;+2