5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzene-1,3-diol

Systemtic Name: 5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzene-1,3-diol Openeye Name: 5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzene-1,3-diol CAS Name: 5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzene-1,3-diol IUPAC Name: 5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzene-1,3-diol Traditional Name: 5-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)resorcinol Formula: C44H30N4O2 MolecularWeight: 646.7346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=CC(=C9)O)O)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=CC(=C9)O)O)N3

InChI

InChI=1S/C44H30N4O2/c49-31-24-30(25-32(50)26-31)44-39-22-20-37(47-39)42(28-12-6-2-7-13-28)35-18-16-33(45-35)41(27-10-4-1-5-11-27)34-17-19-36(46-34)43(29-14-8-3-9-15-29)38-21-23-40(44)48-38/h1-26,47-50H