5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde

Systemtic Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde Openeye Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde CAS Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carboxaldehyde IUPAC Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde Traditional Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphine-2-carbaldehyde Formula: C45H30N4O MolecularWeight: 642.7459

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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=C7)C8=CC=CC=C8)C=O)C9=CC=CC=C9)N3

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=C7)C8=CC=CC=C8)C=O)C9=CC=CC=C9)N3

InChI

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