2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphyrin

Systemtic Name: 2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphyrin Openeye Name: 2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphyrin CAS Name: 2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphyrin IUPAC Name: 2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphyrin Traditional Name: 2-methyl-5,10,15,20,22-pentakis-phenyl-21H-porphine Formula: C51H36N4 MolecularWeight: 704.85834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C51H36N4/c1-34-33-44-49(37-21-11-4-12-22-37)46-32-31-45(55(46)39-25-15-6-16-26-39)48(36-19-9-3-10-20-36)42-29-27-40(52-42)47(35-17-7-2-8-18-35)41-28-30-43(53-41)50(51(34)54-44)38-23-13-5-14-24-38/h2-33,54H,1H3