copper 5,15-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide

Systemtic Name: copper 5,15-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Openeye Name: copper 5,15-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide CAS Name: copper 5,15-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide IUPAC Name: copper 5,15-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Traditional Name: cupric 5,15-dimesitylporphine-21,22-diide Formula: C38H32CuN4 MolecularWeight: 608.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=C(C=C(C=C7C)C)C)C=C4)[N-]3)C.[Cu+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=C(C=C(C=C7C)C)C)C=C4)[N-]3)C.[Cu+2]

InChI

InChI=1S/C38H32N4.Cu/c1-21-15-23(3)35(24(4)16-21)37-31-11-7-27(39-31)19-29-9-13-33(41-29)38(36-25(5)17-22(2)18-26(36)6)34-14-10-30(42-34)20-28-8-12-32(37)40-28;/h7-20H,1-6H3;/q-2;+2