4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzaldehyde

Systemtic Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzaldehyde Openeye Name: 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]benzaldehyde CAS Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzaldehyde IUPAC Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzaldehyde Traditional Name: 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]benzaldehyde Formula: C42H27N7O MolecularWeight: 645.71008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

C1=CC(=CC=C1C=O)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C42H27N7O/c50-25-26-1-3-27(4-2-26)39-31-5-7-33(46-31)40(28-13-19-43-20-14-28)35-9-11-37(48-35)42(30-17-23-45-24-18-30)38-12-10-36(49-38)41(29-15-21-44-22-16-29)34-8-6-32(39)47-34/h1-25,46-47H