zinc trimethyl-[2-[4-[15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]silane

Systemtic Name: zinc trimethyl-[2-[4-[15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]silane Openeye Name: zinc trimethyl-[2-[4-[15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]silane CAS Name: zinc trimethyl-[2-[4-[15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-21,22-diidyl]phenyl]ethynyl]silane IUPAC Name: zinc trimethyl-[2-[4-[15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]silane Traditional Name: zinc 2-[4-[10,20-dimesityl-15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]porphine-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane Formula: C64H54N4SSiZn MolecularWeight: 1004.69986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=CC=C8)SC)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)C#C[Si](C)(C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=CC=C8)SC)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)C#C[Si](C)(C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C64H54N4SSi.Zn/c1-39-34-41(3)59(42(4)35-39)63-55-28-24-51(65-55)61(48-20-16-45(17-21-48)14-15-47-12-11-13-50(38-47)69-7)52-25-29-56(66-52)64(60-43(5)36-40(2)37-44(60)6)58-31-27-54(68-58)62(53-26-30-57(63)67-53)49-22-18-46(19-23-49)32-33-70(8,9)10;/h11-13,16-31,34-38H,1-10H3;/q-2;+2