15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-[2-(1,3-dithian-2-yl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphine Formula: C48H36N4S2 MolecularWeight: 732.95624

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=CC=C2C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)N5)C1=CC=CC=C1

Isomeric SMILES

C1CSC(SC1)C2=CC=CC=C2C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=CC=CC=C9)N5)C1=CC=CC=C1

InChI

InChI=1S/C48H36N4S2/c1-4-13-31(14-5-1)44-36-21-23-38(49-36)45(32-15-6-2-7-16-32)40-25-27-42(51-40)47(34-19-10-11-20-35(34)48-53-29-12-30-54-48)43-28-26-41(52-43)46(33-17-8-3-9-18-33)39-24-22-37(44)50-39/h1-11,13-28,48-50H,12,29-30H2