zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-trimethylsilylethynyl)porphyrin-21,22-diid-5-yl]ethynyl-tri(propan-2-yl)silane

Systemtic Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-trimethylsilylethynyl)porphyrin-21,22-diid-5-yl]ethynyl-tri(propan-2-yl)silane Openeye Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-triisopropylsilylethynyl)porphyrin-23,24-diid-5-yl]ethynyl-trimethyl-silane CAS Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-trimethylsilylethynyl)-5-porphyrin-21,22-diidyl]ethynyl-tri(propan-2-yl)silane IUPAC Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-trimethylsilylethynyl)porphyrin-21,22-diid-5-yl]ethynyl-tri(propan-2-yl)silane Traditional Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-triisopropylsilylethynyl)porphine-23,24-diid-5-yl]ethynyl-trimethyl-silane Formula: C64H80N4Si2Zn MolecularWeight: 1026.9268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si](C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C=C4)C#C[Si](C)(C)C)C=C3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)[N-]2)(C(C)C)C(C)C.[Zn+2]

Isomeric SMILES

CC(C)[Si](C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C=C4)C#C[Si](C)(C)C)C=C3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)[N-]2)(C(C)C)C(C)C.[Zn+2]

InChI

InChI=1S/C64H80N4Si2.Zn/c1-40(2)70(41(3)4,42(5)6)33-31-50-53-24-28-57(67-53)59(43-34-45(61(7,8)9)38-46(35-43)62(10,11)12)55-26-22-51(65-55)49(30-32-69(19,20)21)52-23-27-56(66-52)60(58-29-25-54(50)68-58)44-36-47(63(13,14)15)39-48(37-44)64(16,17)18;/h22-29,34-42H,1-21H3;/q-2;+2