2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenyl-porphyrin-21,22-diide

Systemtic Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenyl-porphyrin-21,22-diide Openeye Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenyl-porphyrin-21,22-diide CAS Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenylporphyrin-21,22-diide IUPAC Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenylporphyrin-21,22-diide Traditional Name: 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-diphenyl-porphine-21,22-diide Formula: C52H60N4-2 MolecularWeight: 741.0596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=CC=CC=C6)C)CCCC)CCCC)C)C7=CC=CC=C7)C

Isomeric SMILES

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=CC=CC=C6)C)CCCC)CCCC)C)C7=CC=CC=C7)C

InChI

InChI=1S/C52H60N4/c1-9-13-27-39-33(5)49-47(37-23-19-17-20-24-37)50-35(7)41(29-15-11-3)45(55-50)32-46-42(30-16-12-4)36(8)52(56-46)48(38-25-21-18-22-26-38)51-34(6)40(28-14-10-2)44(54-51)31-43(39)53-49/h17-26,31-32H,9-16,27-30H2,1-8H3/q-2