zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]piperidin-4-yl]isoindole-1,3-dione

Systemtic Name: zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]piperidin-4-yl]isoindole-1,3-dione Openeye Name: zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]-4-piperidyl]isoindoline-1,3-dione CAS Name: zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]-4-piperidinyl]isoindole-1,3-dione IUPAC Name: zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]piperidin-4-yl]isoindole-1,3-dione Traditional Name: zinc 2-[1-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]phenyl]-4-piperidyl]isoindoline-1,3-quinone Formula: C81H104N6O2Zn MolecularWeight: 1259.14046

Click to see the large picture

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)N8CCC(CC8)N9C(=O)C1=CC=CC=C1C9=O)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)N8CCC(CC8)N9C(=O)C1=CC=CC=C1C9=O)C.[Zn+2]

InChI

InChI=1S/C81H104N6O2.Zn/c1-15-19-23-27-33-62-52(5)74-72(56-39-41-60(42-40-56)86-45-43-61(44-46-86)87-78(88)66-37-31-32-38-67(66)79(87)89)75-53(6)63(34-28-24-20-16-2)69(83-75)51-71-65(36-30-26-22-18-4)55(8)77(85-71)73(57-47-58(80(9,10)11)49-59(48-57)81(12,13)14)76-54(7)64(35-29-25-21-17-3)70(84-76)50-68(62)82-74;/h31-32,37-42,47-51,61H,15-30,33-36,43-46H2,1-14H3;/q-2;+2