23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin

Systemtic Name: 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin Openeye Name: 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin CAS Name: 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin IUPAC Name: 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin Traditional Name: 23-methyl-5,10,15,20-tetraphenyl-21H-porphine Formula: C45H32N4 MolecularWeight: 628.76238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C45H32N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,46H,1H3