zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-23,24-diid-5-yl]phenyl]-1,3-dioxan-5-yl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-23,24-diid-5-yl]phenyl]-1,3-dioxan-5-yl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-23,24-diid-5-yl]phenyl]-1,3-dioxan-5-yl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-5-porphyrin-23,24-diidyl]phenyl]-1,3-dioxan-5-yl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-23,24-diid-5-yl]phenyl]-1,3-dioxan-5-yl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: zinc 2-(2,5-ditert-butylphenyl)-6-[2-[4-[15-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-23,24-diid-5-yl]phenyl]-1,3-dioxan-5-yl]pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C93H113BN6O8Zn MolecularWeight: 1519.14772

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C3=C4C(=C(C(=CC5=NC(=C(C6=NC(=CC7=C(C(=C3[N-]7)C)CCCCCC)C(=C6C)CCCCCC)C8=CC=C(C=C8)C9OCC(CO9)N1C(=O)C2=C(C1=O)C=C1C(=C2)C(=O)N(C1=O)C1=C(C=CC(=C1)C(C)(C)C)C(C)(C)C)C(=C5CCCCCC)C)[N-]4)CCCCCC)C.[Zn+2]

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C3=C4C(=C(C(=CC5=NC(=C(C6=NC(=CC7=C(C(=C3[N-]7)C)CCCCCC)C(=C6C)CCCCCC)C8=CC=C(C=C8)C9OCC(CO9)N1C(=O)C2=C(C1=O)C=C1C(=C2)C(=O)N(C1=O)C1=C(C=CC(=C1)C(C)(C)C)C(C)(C)C)C(=C5CCCCCC)C)[N-]4)CCCCCC)C.[Zn+2]

InChI

InChI=1S/C93H113BN6O8.Zn/c1-17-21-25-29-33-66-56(5)82-80(60-37-39-62(40-38-60)90-105-52-65(53-106-90)99-86(101)70-48-72-73(49-71(70)87(99)102)89(104)100(88(72)103)79-47-63(91(9,10)11)43-46-74(79)92(12,13)14)83-57(6)67(34-30-26-22-18-2)76(96-83)51-78-69(36-32-28-24-20-4)59(8)85(98-78)81(61-41-44-64(45-42-61)94-107-54-93(15,16)55-108-94)84-58(7)68(35-31-27-23-19-3)77(97-84)50-75(66)95-82;/h37-51,65,90H,17-36,52-55H2,1-16H3;/q-2;+2