N-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]prop-2-enamide

Systemtic Name: N-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]prop-2-enamide Openeye Name: N-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenyl]prop-2-enamide CAS Name: N-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]-2-propenamide IUPAC Name: N-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]prop-2-enamide Traditional Name: N-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenyl]acrylamide Formula: C44H30N8O MolecularWeight: 686.762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC=C(C=C1)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

C=CC(=O)NC1=CC=C(C=C1)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/C44H30N8O/c1-2-40(53)48-31-5-3-27(4-6-31)41-32-7-9-34(49-32)42(28-15-21-45-22-16-28)36-11-13-38(51-36)44(30-19-25-47-26-20-30)39-14-12-37(52-39)43(29-17-23-46-24-18-29)35-10-8-33(41)50-35/h2-26,49-50H,1H2,(H,48,53)