zinc 2-[4-[10,20-di(tridecan-7-yl)-15-[4-(2-trimethylsilylethynyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane

Systemtic Name: zinc 2-[4-[10,20-di(tridecan-7-yl)-15-[4-(2-trimethylsilylethynyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane Openeye Name: zinc 2-[4-[10,20-bis(1-hexylheptyl)-15-[4-(2-trimethylsilylethynyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane CAS Name: zinc 2-[4-[10,20-di(tridecan-7-yl)-15-[4-(2-trimethylsilylethynyl)phenyl]-5-porphyrin-21,22-diidyl]phenyl]ethynyl-trimethylsilane IUPAC Name: zinc 2-[4-[10,20-di(tridecan-7-yl)-15-[4-(2-trimethylsilylethynyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethylsilane Traditional Name: zinc 2-[4-[10,20-bis(1-hexylheptyl)-15-[4-(2-trimethylsilylethynyl)phenyl]porphine-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane Formula: C68H88N4Si2Zn MolecularWeight: 1083.03312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#C[Si](C)(C)C)C(CCCCCC)CCCCCC)C7=CC=C(C=C7)C#C[Si](C)(C)C)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#C[Si](C)(C)C)C(CCCCCC)CCCCCC)C7=CC=C(C=C7)C#C[Si](C)(C)C)[N-]2.[Zn+2]

InChI

InChI=1S/C68H88N4Si2.Zn/c1-11-15-19-23-27-53(28-24-20-16-12-2)65-57-39-43-61(69-57)67(55-35-31-51(32-36-55)47-49-73(5,6)7)63-45-41-59(71-63)66(54(29-25-21-17-13-3)30-26-22-18-14-4)60-42-46-64(72-60)68(62-44-40-58(65)70-62)56-37-33-52(34-38-56)48-50-74(8,9)10;/h31-46,53-54H,11-30H2,1-10H3;/q-2;+2