15-bromanyl-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-bromanyl-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-bromo-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-bromo-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-bromo-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-bromo-5-(2-methylphenoxy)-10,20-diphenyl-21,22-dihydroporphine Formula: C39H27BrN4O MolecularWeight: 647.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)Br)C=C4)C8=CC=CC=C8)N3

Isomeric SMILES

CC1=CC=CC=C1OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)Br)C=C4)C8=CC=CC=C8)N3

InChI

InChI=1S/C39H27BrN4O/c1-24-10-8-9-15-35(24)45-39-33-22-18-29(43-33)36(25-11-4-2-5-12-25)27-16-20-31(41-27)38(40)32-21-17-28(42-32)37(26-13-6-3-7-14-26)30-19-23-34(39)44-30/h2-23,43-44H,1H3