zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]but-3-en-1-ynyl]silane

Systemtic Name: zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]but-3-en-1-ynyl]silane Openeye Name: zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]but-3-en-1-ynyl]silane CAS Name: zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)-5-porphyrin-22,24-diidyl]but-3-en-1-ynyl]silane IUPAC Name: zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]but-3-en-1-ynyl]silane Traditional Name: zinc trimethyl-[(E)-3-trimethylsilyl-4-[10,15,20-tris(3,5-ditert-butylphenyl)porphine-22,24-diid-5-yl]but-3-en-1-ynyl]silane Formula: C72H90N4Si2Zn MolecularWeight: 1133.0918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=C(C#C[Si](C)(C)C)[Si](C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)/C=C(\C#C[Si](C)(C)C)/[Si](C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C72H90N4Si2.Zn/c1-67(2,3)48-35-45(36-49(41-48)68(4,5)6)64-58-27-25-56(73-58)55(44-54(78(22,23)24)33-34-77(19,20)21)57-26-28-59(74-57)65(46-37-50(69(7,8)9)42-51(38-46)70(10,11)12)61-30-32-63(76-61)66(62-31-29-60(64)75-62)47-39-52(71(13,14)15)43-53(40-47)72(16,17)18;/h25-32,35-44H,1-24H3;/q-2;+2/b54-44+,56-55?,57-55?,64-58?,64-60?,65-59?,65-61?,66-62?,66-63?;