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

Systemtic Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]porphyrin-23,24-diide; gold(3+); tetrafluoroborate Openeye Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]porphyrin-23,24-diide; gold(3+); tetrafluoroborate CAS Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]porphyrin-23,24-diide; gold(3+); tetrafluoroborate IUPAC Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]porphyrin-23,24-diide; gold(3+); tetrafluoroborate Traditional Name: 5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]porphine-23,24-diide; gold(3+); tetrafluoroborate Formula: C76H72AuBF4N4 MolecularWeight: 1325.182843

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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)C#CC8=CC=C(C=C8)C#CC9=CC=C(C=C9)C#CC1=CC=CC=C1)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)C#CC8=CC=C(C=C8)C#CC9=CC=C(C=C9)C#CC1=CC=CC=C1)C.[Au+3]

InChI

InChI=1S/C76H72N4.Au.BF4/c1-15-61-47(5)71-69(57-40-38-56(39-41-57)37-36-55-34-32-54(33-35-55)31-30-53-28-26-52(27-29-53)25-24-51-22-20-19-21-23-51)72-48(6)62(16-2)66(78-72)46-68-64(18-4)50(8)74(80-68)70(73-49(7)63(17-3)67(79-73)45-65(61)77-71)58-42-59(75(9,10)11)44-60(43-58)76(12,13)14;;2-1(3,4)5/h19-23,26-29,32-35,38-46H,15-18H2,1-14H3;;/q-2;+3;-1