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

Systemtic Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-ethynyl-porphyrin-21,22-diid-5-yl]ethynyl-tri(propan-2-yl)silane Openeye Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-ethynyl-porphyrin-21,22-diid-5-yl]ethynyl-triisopropyl-silane CAS Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-ethynyl-5-porphyrin-21,22-diidyl]ethynyl-tri(propan-2-yl)silane IUPAC Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-ethynylporphyrin-21,22-diid-5-yl]ethynyl-tri(propan-2-yl)silane Traditional Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-15-ethynyl-porphine-21,22-diid-5-yl]ethynyl-triisopropyl-silane Formula: C61H72N4SiZn MolecularWeight: 954.74568

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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)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)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/C61H72N4Si.Zn/c1-20-46-48-21-25-52(62-48)56(40-31-42(58(8,9)10)35-43(32-40)59(11,12)13)54-27-23-50(64-54)47(29-30-66(37(2)3,38(4)5)39(6)7)51-24-28-55(65-51)57(53-26-22-49(46)63-53)41-33-44(60(14,15)16)36-45(34-41)61(17,18)19;/h1,21-28,31-39H,2-19H3;/q-2;+2