3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)aniline

Systemtic Name: 3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)aniline Openeye Name: 3-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]aniline CAS Name: 3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)aniline IUPAC Name: 3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)aniline Traditional Name: [3-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C41H28N8 MolecularWeight: 632.71462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)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(=C1)N)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/C41H28N8/c42-29-3-1-2-28(24-29)41-36-10-8-34(48-36)39(26-14-20-44-21-15-26)32-6-4-30(46-32)38(25-12-18-43-19-13-25)31-5-7-33(47-31)40(27-16-22-45-23-17-27)35-9-11-37(41)49-35/h1-24,48-49H,42H2