4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde

Systemtic Name: 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde Openeye Name: 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde CAS Name: 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde IUPAC Name: 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde Traditional Name: 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphin-5-yl]benzaldehyde Formula: C48H36N4O MolecularWeight: 684.82564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=O)N3

InChI

InChI=1S/C48H36N4O/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35/h4-28,51-52H,1-3H3