zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]silane

Systemtic Name: zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]silane Openeye Name: zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]silane CAS Name: zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-5-porphyrin-22,24-diidyl]phenyl]ethynyl]silane IUPAC Name: zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]phenyl]ethynyl]silane Traditional Name: zinc trimethyl-[2-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphine-22,24-diid-5-yl]phenyl]ethynyl]silane Formula: C73H84N4SiZn MolecularWeight: 1110.96936

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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)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=C(C=C9)C#C[Si](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)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=C(C=C9)C#C[Si](C)(C)C)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C73H84N4Si.Zn/c1-68(2,3)50-36-47(37-51(42-50)69(4,5)6)65-58-28-26-56(74-58)64(46-24-22-45(23-25-46)34-35-78(19,20)21)57-27-29-59(75-57)66(48-38-52(70(7,8)9)43-53(39-48)71(10,11)12)61-31-33-63(77-61)67(62-32-30-60(65)76-62)49-40-54(72(13,14)15)44-55(41-49)73(16,17)18;/h22-33,36-44H,1-21H3;/q-2;+2