3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-carbaldehyde

Systemtic Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-carbaldehyde Openeye Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-carbaldehyde CAS Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-carboxaldehyde IUPAC Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-carbaldehyde Traditional Name: 3,5,7,8-tetraphenyl-23,24-dihydroporphine-2-carbaldehyde Formula: C45H30N4O MolecularWeight: 642.7459

Click to see the large picture

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)C=O)C8=CC=CC=C8)C9=CC=CC=C9

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)C=O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C45H30N4O/c50-28-37-38-26-35-23-21-33(46-35)25-34-22-24-36(47-34)27-39-41(30-15-7-2-8-16-30)42(31-17-9-3-10-18-31)45(49-39)43(32-19-11-4-12-20-32)44(48-38)40(37)29-13-5-1-6-14-29/h1-28,46-47H