2-[4-[15-[4-[2-(3-tert-butyl-5-iodanyl-phenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane; nickel(2+)

Systemtic Name: 2-[4-[15-[4-[2-(3-tert-butyl-5-iodanyl-phenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane; nickel(2+) Openeye Name: nickelous 2-[4-[15-[4-[2-(3-tert-butyl-5-iodo-phenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane CAS Name: 2-[4-[15-[4-[2-(3-tert-butyl-5-iodophenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-21,22-diidyl]phenyl]ethynyl-trimethylsilane; nickel(2+) IUPAC Name: 2-[4-[15-[4-[2-(3-tert-butyl-5-iodophenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl-trimethylsilane; nickel(2+) Traditional Name: nickelous 2-[4-[15-[4-[2-(3-tert-butyl-5-iodo-phenyl)ethynyl]phenyl]-10,20-dimesityl-porphine-21,22-diid-5-yl]phenyl]ethynyl-trimethyl-silane Formula: C67H59IN4NiSi MolecularWeight: 1133.89553

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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)I)C(C)(C)C)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)C#C[Si](C)(C)C)[N-]3)C.[Ni+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)I)C(C)(C)C)C9=C(C=C(C=C9C)C)C)C1=CC=C(C=C1)C#C[Si](C)(C)C)[N-]3)C.[Ni+2]

InChI

InChI=1S/C67H59IN4Si.Ni/c1-40-33-42(3)61(43(4)34-40)65-57-27-23-53(69-57)63(49-19-15-46(16-20-49)13-14-48-37-51(67(7,8)9)39-52(68)38-48)54-24-28-58(70-54)66(62-44(5)35-41(2)36-45(62)6)60-30-26-56(72-60)64(55-25-29-59(65)71-55)50-21-17-47(18-22-50)31-32-73(10,11)12;/h15-30,33-39H,1-12H3;/q-2;+2