N-[[3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]diazenyl]-N-ethyl-ethanamine; nickel(2+)

Systemtic Name: N-[[3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]diazenyl]-N-ethyl-ethanamine; nickel(2+) Openeye Name: nickelous N-[3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]azo-N-ethyl-ethanamine CAS Name: N-[3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-21,22-diidyl]phenyl]ethynyl]phenyl]azo-N-ethylethanamine; nickel(2+) IUPAC Name: N-[[3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]diazenyl]-N-ethylethanamine; nickel(2+) Traditional Name: nickelous [3-tert-butyl-5-[2-[4-[15-(4-iodophenyl)-10,20-dimesityl-porphine-21,22-diid-5-yl]phenyl]ethynyl]phenyl]azo-diethyl-amine Formula: C66H60IN7Ni MolecularWeight: 1136.82737

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)N=NC1=CC(=CC(=C1)C(C)(C)C)C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=C(C=C(C=C8C)C)C)C=C6)C9=CC=C(C=C9)I)C=C5)C1=C(C=C(C=C1C)C)C)[N-]4.[Ni+2]

Isomeric SMILES

CCN(CC)N=NC1=CC(=CC(=C1)C(C)(C)C)C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=C(C=C(C=C8C)C)C)C=C6)C9=CC=C(C=C9)I)C=C5)C1=C(C=C(C=C1C)C)C)[N-]4.[Ni+2]

InChI

InChI=1S/C66H60IN7.Ni/c1-12-74(13-2)73-72-51-37-46(36-49(38-51)66(9,10)11)15-14-45-16-18-47(19-17-45)62-52-24-28-56(68-52)64(60-41(5)32-39(3)33-42(60)6)58-30-26-54(70-58)63(48-20-22-50(67)23-21-48)55-27-31-59(71-55)65(57-29-25-53(62)69-57)61-43(7)34-40(4)35-44(61)8;/h16-38H,12-13H2,1-11H3;/q-2;+2