5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-isocyanatophenyl)-21,22-dihydroporphine Formula: C48H26N8O4 MolecularWeight: 778.77124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7N=C=O)C8=CC=CC=C8N=C=O)C9=CC=CC=C9N=C=O)N3)N=C=O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7N=C=O)C8=CC=CC=C8N=C=O)C9=CC=CC=C9N=C=O)N3)N=C=O

InChI

InChI=1S/C48H26N8O4/c57-25-49-33-13-5-1-9-29(33)45-37-17-19-39(53-37)46(30-10-2-6-14-34(30)50-26-58)41-21-23-43(55-41)48(32-12-4-8-16-36(32)52-28-60)44-24-22-42(56-44)47(40-20-18-38(45)54-40)31-11-3-7-15-35(31)51-27-59/h1-24,53-54H