2-[[5-bromanyl-2-methoxy-3-[[5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diid-2-yl]methyl]phenyl]methyl]-5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 2-[[5-bromanyl-2-methoxy-3-[[5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diid-2-yl]methyl]phenyl]methyl]-5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diide; nickel(2+) Openeye Name: dinickelous 2-[[5-bromo-3-[[20-[(E)-1-ethylprop-1-enyl]-5,10,15-tris(1-ethylpropyl)porphyrin-22,23-diid-2-yl]methyl]-2-methoxy-phenyl]methyl]-20-[(E)-1-ethylprop-1-enyl]-5,10,15-tris(1-ethylpropyl)porphyrin-22,23-diide CAS Name: 2-[[5-bromo-2-methoxy-3-[[5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]-2-porphyrin-22,23-diidyl]methyl]phenyl]methyl]-5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diide; nickel(2+) IUPAC Name: 2-[[5-bromo-2-methoxy-3-[[5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diid-2-yl]methyl]phenyl]methyl]-5,10,15-tri(pentan-3-yl)-20-[(E)-pent-2-en-3-yl]porphyrin-22,23-diide; nickel(2+) Traditional Name: dinickelous 2-[5-bromo-3-[[20-[(E)-1-ethylprop-1-enyl]-5,10,15-tris(1-ethylpropyl)porphine-22,23-diid-2-yl]methyl]-2-methoxy-benzyl]-20-[(E)-1-ethylprop-1-enyl]-5,10,15-tris(1-ethylpropyl)porphine-22,23-diide Formula: C89H107BrN8Ni2O MolecularWeight: 1502.14568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=C(C(=N4)C(=C5C=CC1=N5)C(=CC)CC)CC6=CC(=CC(=C6OC)CC7=CC8=C(C9=CC=C([N-]9)C(=C1C=CC(=C(C3=NC(=C(C7=N8)C(=CC)CC)C=C3)C(CC)CC)[N-]1)C(CC)CC)C(CC)CC)Br)C(CC)CC)C(CC)CC)[N-]2.[Ni+2].[Ni+2]

Isomeric SMILES

CCC(CC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=C(C(=N4)C(=C5C=CC1=N5)/C(=C/C)/CC)CC6=CC(=CC(=C6OC)CC7=CC8=C(C9=CC=C([N-]9)C(=C1C=CC(=C(C3=NC(=C(C7=N8)/C(=C/C)/CC)C=C3)C(CC)CC)[N-]1)C(CC)CC)C(CC)CC)Br)C(CC)CC)C(CC)CC)[N-]2.[Ni+2].[Ni+2]

InChI

InChI=1S/C89H107BrN8O.2Ni/c1-18-52(19-2)79-65-34-36-67(91-65)81(54(22-5)23-6)71-42-44-75(95-71)85(58(30-13)31-14)87-60(50-77(97-87)83(56(26-9)27-10)73-40-38-69(79)93-73)46-62-48-64(90)49-63(89(62)99-17)47-61-51-78-84(57(28-11)29-12)74-41-39-70(94-74)80(53(20-3)21-4)66-35-37-68(92-66)82(55(24-7)25-8)72-43-45-76(96-72)86(88(61)98-78)59(32-15)33-16;;/h30,32,34-45,48-57H,18-29,31,33,46-47H2,1-17H3;;/q-4;2*+2/b58-30+,59-32+,79-65?,79-69?,80-66?,80-70?,81-67?,81-71?,82-68?,82-72?,83-73?,83-77?,84-74?,84-78?,85-75?,86-76?,87-85?,88-86?;;