(2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin-2,3-diol

Systemtic Name: (2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin-2,3-diol Openeye Name: (2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin-2,3-diol CAS Name: (2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin-2,3-diol IUPAC Name: (2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphyrin-2,3-diol Traditional Name: (2S,3R)-5,10,15,20-tetraphenyl-2,3,12,13,22,24-hexahydroporphine-2,3-diol Formula: C44H34N4O2 MolecularWeight: 650.76636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC1=C(C3=CC=C(N3)C(=C4C(C(C(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)O)O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CC2=NC1=C(C3=CC=C(N3)C(=C4[C@@H]([C@@H](C(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)O)O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C44H34N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-20,23-26,43-44,46-47,49-50H,21-22H2/t43-,44+