5,10,15,20-tetrakis(2-chloranyl-6-fluoranyl-phenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-chloranyl-6-fluoranyl-phenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-chloro-6-fluoro-phenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-chloro-6-fluorophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-chloro-6-fluorophenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-chloro-6-fluoro-phenyl)-21,22-dihydroporphine Formula: C44H22Cl4F4N4 MolecularWeight: 824.477893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)F)C8=C(C=CC=C8Cl)F)C9=C(C=CC=C9Cl)F)N3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)F)C8=C(C=CC=C8Cl)F)C9=C(C=CC=C9Cl)F)N3)F

InChI

InChI=1S/C44H22Cl4F4N4/c45-21-5-1-9-25(49)37(21)41-29-13-15-31(53-29)42(38-22(46)6-2-10-26(38)50)33-17-19-35(55-33)44(40-24(48)8-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-23(47)7-3-11-27(39)51/h1-20,53-54H