(Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate; nickel(2+)

Systemtic Name: (Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate; nickel(2+) Openeye Name: nickelous (Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphyrin-24-id-5-ylidene]methanolate CAS Name: (Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-5-porphyrin-24-idylidene]methanolate; nickel(2+) IUPAC Name: (Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenylporphyrin-24-id-5-ylidene]methanolate; nickel(2+) Traditional Name: nickelous (Z)-[15-[2-(4-dimethylaminophenyl)ethynyl]-10,20-diphenyl-porphin-24-id-5-ylidene]methanolate Formula: C43H29N5NiO MolecularWeight: 690.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C[O-])C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8.[Ni+2]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=C3C=CC(=N3)C(=C4C=CC(=N4)/C(=C\[O-])/C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8.[Ni+2]

InChI

InChI=1S/C43H30N5O.Ni/c1-48(2)31-16-13-28(14-17-31)15-18-32-34-19-23-38(44-34)42(29-9-5-3-6-10-29)40-25-21-36(46-40)33(27-49)37-22-26-41(47-37)43(30-11-7-4-8-12-30)39-24-20-35(32)45-39;/h3-14,16-17,19-27H,1-2H3,(H-,44,45,46,47,49);/q-1;+2/p-1