23-(2-methylbenzo[a]anthracen-1-yl)-21H-porphyrin

Systemtic Name: 23-(2-methylbenzo[a]anthracen-1-yl)-21H-porphyrin Openeye Name: 23-(2-methylbenzo[a]anthracen-1-yl)-21H-porphyrin CAS Name: 23-(2-methyl-1-benzo[a]anthracenyl)-21H-porphyrin IUPAC Name: 23-(2-methylbenzo[a]anthracen-1-yl)-21H-porphyrin Traditional Name: 23-(2-methylbenz[a]anthracen-1-yl)-21H-porphine Formula: C39H26N4 MolecularWeight: 550.65054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=CC3=CC4=CC=CC=C4C=C32)N5C6=CC=C5C=C7C=CC(=N7)C=C8C=CC(=CC9=NC(=C6)C=C9)N8

Isomeric SMILES

CC1=C(C2=C(C=C1)C=CC3=CC4=CC=CC=C4C=C32)N5C6=CC=C5C=C7C=CC(=N7)C=C8C=CC(=CC9=NC(=C6)C=C9)N8

InChI

InChI=1S/C39H26N4/c1-24-6-7-25-8-9-28-18-26-4-2-3-5-27(26)19-37(28)38(25)39(24)43-35-16-17-36(43)23-34-15-13-32(42-34)21-30-11-10-29(40-30)20-31-12-14-33(22-35)41-31/h2-23,40H,1H3