12-naphthalen-1-yl-13,15,17,18-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 12-naphthalen-1-yl-13,15,17,18-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 12-(1-naphthyl)-13,15,17,18-tetraphenyl-21,22-dihydroporphyrin CAS Name: 12-(1-naphthalenyl)-13,15,17,18-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 12-naphthalen-1-yl-13,15,17,18-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 12-(1-naphthyl)-13,15,17,18-tetraphenyl-21,22-dihydroporphine Formula: C54H36N4 MolecularWeight: 740.89044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C54H36N4/c1-5-17-36(18-6-1)48-46-33-42-30-28-40(55-42)32-41-29-31-43(56-41)34-47-52(45-27-15-25-35-16-13-14-26-44(35)45)50(38-21-9-3-10-22-38)54(58-47)51(39-23-11-4-12-24-39)53(57-46)49(48)37-19-7-2-8-20-37/h1-34,55-56H