palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-porphyrin-21,22-diid-5-yl)dibenzofuran-4-yl]porphyrin-21,22-diide

Systemtic Name: palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-porphyrin-21,22-diid-5-yl)dibenzofuran-4-yl]porphyrin-21,22-diide Openeye Name: palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-porphyrin-21,22-diid-5-yl)dibenzofuran-4-yl]porphyrin-21,22-diide CAS Name: palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-porphyrin-21,22-diidyl)-4-dibenzofuranyl]porphyrin-21,22-diide IUPAC Name: palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-21,22-diid-5-yl)dibenzofuran-4-yl]porphyrin-21,22-diide Traditional Name: palladium(2+); 2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-porphine-21,22-diid-5-yl)dibenzofuran-4-yl]porphine-21,22-diide Formula: C76H76N8OPd2 MolecularWeight: 1330.30964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)[N-]4)CC)C)C6=CC=CC7=C6OC8=C7C=CC=C8C9=C1C(=C(C(=CC2=NC(=CC3=NC(=CC4=C(C(=C9[N-]4)C)CC)C(=C3CC)C)C(=C2C)CC)[N-]1)CC)C)C)CC)C.[Pd+2].[Pd+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)[N-]4)CC)C)C6=CC=CC7=C6OC8=C7C=CC=C8C9=C1C(=C(C(=CC2=NC(=CC3=NC(=CC4=C(C(=C9[N-]4)C)CC)C(=C3CC)C)C(=C2C)CC)[N-]1)CC)C)C)CC)C.[Pd+2].[Pd+2]

InChI

InChI=1S/C76H76N8O.2Pd/c1-17-45-37(9)57-31-65-49(21-5)41(13)71(81-65)69(72-42(14)50(22-6)66(82-72)32-58-38(10)46(18-2)62(78-58)35-61(45)77-57)55-29-25-27-53-54-28-26-30-56(76(54)85-75(53)55)70-73-43(15)51(23-7)67(83-73)33-59-39(11)47(19-3)63(79-59)36-64-48(20-4)40(12)60(80-64)34-68-52(24-8)44(16)74(70)84-68;;/h25-36H,17-24H2,1-16H3;;/q-4;2*+2