(10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphyrin-21,22-diide-5-carbonitrile; nickel(2+)

Systemtic Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphyrin-21,22-diide-5-carbonitrile; nickel(2+) Openeye Name: nickelous (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphyrin-21,22-diide-5-carbonitrile CAS Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphyrin-21,22-diide-5-carbonitrile; nickel(2+) IUPAC Name: (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphyrin-21,22-diide-5-carbonitrile; nickel(2+) Traditional Name: nickelous (10Z,19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-15H-porphine-21,22-diide-5-carbonitrile Formula: C57H69N5Ni MolecularWeight: 882.88466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=NC(=C(C3=C(C(=C([N-]3)C(C4=C(C(=C([N-]4)C(=C5C(=C(C1=N5)CC)CC)C6=CC=CC=C6)CC)CC)(CCCC)C#N)CC)CC)C7=CC=CC=C7)C(=C2CC)CC.[Ni+2]

Isomeric SMILES

CCCCC1C2=N/C(=C(\C3=C(C(=C([N-]3)C(C4=C(C(=C([N-]4)/C(=C/5\N=C1C(=C5CC)CC)/C6=CC=CC=C6)CC)CC)(C#N)CCCC)CC)CC)/C7=CC=CC=C7)/C(=C2CC)CC.[Ni+2]

InChI

InChI=1S/C57H69N5.Ni/c1-11-21-33-46-49-38(13-3)40(15-5)51(59-49)47(36-29-25-23-26-30-36)53-42(17-7)44(19-9)55(61-53)57(35-58,34-22-12-2)56-45(20-10)43(18-8)54(62-56)48(37-31-27-24-28-32-37)52-41(16-6)39(14-4)50(46)60-52;/h23-32,46H,11-22,33-34H2,1-10H3;/q-2;+2/b51-47-,52-48-;