3-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenol

Systemtic Name: 3-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenol Openeye Name: 3-[10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin-5-yl]phenol CAS Name: 3-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenol IUPAC Name: 3-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]phenol Traditional Name: 3-[10,15,20-tris(p-tolyl)-21,22-dihydroporphin-5-yl]phenol Formula: C47H36N4O MolecularWeight: 672.81494

Click to see the large picture

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(=CC=C9)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(=CC=C9)O)N3

InChI

InChI=1S/C47H36N4O/c1-28-7-13-31(14-8-28)44-36-19-21-38(48-36)45(32-15-9-29(2)10-16-32)40-23-25-42(50-40)47(34-5-4-6-35(52)27-34)43-26-24-41(51-43)46(39-22-20-37(44)49-39)33-17-11-30(3)12-18-33/h4-27,50-52H,1-3H3