2,3,5,7-tetraphenyl-21,22-dihydroporphyrin-21-ium chloride

Systemtic Name: 2,3,5,7-tetraphenyl-21,22-dihydroporphyrin-21-ium chloride Openeye Name: 2,3,5,7-tetraphenyl-21,22-dihydroporphyrin-21-ium chloride CAS Name: 2,3,5,7-tetraphenyl-21,22-dihydroporphyrin-21-ium chloride IUPAC Name: 2,3,5,7-tetraphenyl-21,22-dihydroporphyrin-21-ium chloride Traditional Name: 2,3,5,7-tetraphenyl-21,22-dihydroporphin-21-ium chloride Formula: C44H31ClN4 MolecularWeight: 651.19674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC4=NC(=CC5=NC(=CC6=C(C(=C([NH2+]6)C(=C2N3)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C5)C=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC4=NC(=CC5=NC(=CC6=C(C(=C([NH2+]6)C(=C2N3)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C5)C=C4.[Cl-]

InChI

InChI=1S/C44H30N4.ClH/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;/h1-28,47-48H;1H