zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane

Systemtic Name: zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane Openeye Name: zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane CAS Name: zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethylsilane IUPAC Name: zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethylsilane Traditional Name: zinc 2-[4-[20-(3,5-ditert-butylphenyl)-13,13-dimethyl-12H-porphine-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane Formula: C47H50N4SiZn MolecularWeight: 764.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)C#C[Si](C)(C)C)C=C3)C.[Zn+2]

Isomeric SMILES

CC1(CC2=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=CC1=N2)[N-]5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC=C(C=C7)C#C[Si](C)(C)C)C=C3)C.[Zn+2]

InChI

InChI=1S/C47H50N4Si.Zn/c1-45(2,3)33-24-32(25-34(26-33)46(4,5)6)44-39-19-17-36(49-39)28-42-47(7,8)29-37(50-42)27-35-16-18-38(48-35)43(40-20-21-41(44)51-40)31-14-12-30(13-15-31)22-23-52(9,10)11;/h12-21,24-28H,29H2,1-11H3;/q-2;+2