5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethyl-porphyrin-23,24-diide; gold(3+); tetrafluoroborate

Systemtic Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethyl-porphyrin-23,24-diide; gold(3+); tetrafluoroborate Openeye Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethyl-porphyrin-23,24-diide; gold(3+); tetrafluoroborate CAS Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethylporphyrin-23,24-diide; gold(3+); tetrafluoroborate IUPAC Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethylporphyrin-23,24-diide; gold(3+); tetrafluoroborate Traditional Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-15-(4-iodophenyl)-3,7,13,17-tetramethyl-porphine-23,24-diide; gold(3+); tetrafluoroborate Formula: C52H59AuBF4IN4 MolecularWeight: 1150.727293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)CC)C)C7=CC=C(C=C7)I)C.[Au+3]

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)CC)C)C7=CC=C(C=C7)I)C.[Au+3]

InChI

InChI=1S/C52H59IN4.Au.BF4/c1-15-37-28(5)47-45(32-19-21-36(53)22-20-32)48-29(6)38(16-2)42(55-48)27-44-40(18-4)31(8)50(57-44)46(49-30(7)39(17-3)43(56-49)26-41(37)54-47)33-23-34(51(9,10)11)25-35(24-33)52(12,13)14;;2-1(3,4)5/h19-27H,15-18H2,1-14H3;;/q-2;+3;-1