2-anthracen-9-yl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; nickel(2+); N,N,N',N'-tetramethylethane-1,2-diamine

Systemtic Name: 2-anthracen-9-yl-6-(phenylazanylmethylidene)cyclohexa-2,4-dien-1-one; nickel(2+); N,N,N',N'-tetramethylethane-1,2-diamine Openeye Name: nickelous; 6-(anilinomethylene)-2-(9-anthryl)cyclohexa-2,4-dien-1-one; N,N,N',N'-tetramethylethane-1,2-diamine CAS Name: 6-(anilinomethylidene)-2-(9-anthracenyl)-1-cyclohexa-2,4-dienone; nickel(2+); N,N,N',N'-tetramethylethane-1,2-diamine IUPAC Name: 6-(anilinomethylidene)-2-anthracen-9-ylcyclohexa-2,4-dien-1-one; nickel(2+); N,N,N',N'-tetramethylethane-1,2-diamine Traditional Name: nickelous; 6-(anilinomethylene)-2-(9-anthryl)cyclohexa-2,4-dien-1-one; 2-dimethylaminoethyl(dimethyl)amine Formula: C60H54N4NiO2+2 MolecularWeight: 921.78976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C.C1=CC=C(C=C1)NC=C2C=CC=C(C2=O)C3=C4C=CC=CC4=CC5=CC=CC=C53.C1=CC=C(C=C1)NC=C2C=CC=C(C2=O)C3=C4C=CC=CC4=CC5=CC=CC=C53.[Ni+2]

Isomeric SMILES

CN(C)CCN(C)C.C1=CC=C(C=C1)NC=C2C=CC=C(C2=O)C3=C4C=CC=CC4=CC5=CC=CC=C53.C1=CC=C(C=C1)NC=C2C=CC=C(C2=O)C3=C4C=CC=CC4=CC5=CC=CC=C53.[Ni+2]

InChI

InChI=1S/2C27H19NO.C6H16N2.Ni/c2*29-27-21(18-28-22-12-2-1-3-13-22)11-8-16-25(27)26-23-14-6-4-9-19(23)17-20-10-5-7-15-24(20)26;1-7(2)5-6-8(3)4;/h2*1-18,28H;5-6H2,1-4H3;/q;;;+2