5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin CAS Name: 5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 5-(3-methoxyphenyl)-10,15,20-triphenyl-21,22-dihydroporphine Formula: C45H32N4O MolecularWeight: 644.76178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H32N4O/c1-50-33-19-11-18-32(28-33)45-40-26-24-38(48-40)43(30-14-7-3-8-15-30)36-22-20-34(46-36)42(29-12-5-2-6-13-29)35-21-23-37(47-35)44(31-16-9-4-10-17-31)39-25-27-41(45)49-39/h2-28,48-49H,1H3