5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-[2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]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-[4-(2-phenylethynyl)phenyl]ethynyl]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-[4-(2-phenylethynyl)phenyl]ethynyl]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-[4-(2-phenylethynyl)phenyl]ethynyl]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-[4-(2-phenylethynyl)phenyl]ethynyl]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-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]porphine-23,24-diide; gold(3+); tetrafluoroborate Formula: C84H76AuBF4N4 MolecularWeight: 1425.300203

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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=C(C=C1)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=C(C=C1)C#CC1=CC=CC=C1)C.[Au+3]

InChI

InChI=1S/C84H76N4.Au.BF4/c1-15-69-53(5)79-77(65-46-44-64(45-47-65)43-42-63-40-38-62(39-41-63)37-36-61-34-32-60(33-35-61)31-30-59-28-26-58(27-29-59)25-24-57-22-20-19-21-23-57)80-54(6)70(16-2)74(86-80)52-76-72(18-4)56(8)82(88-76)78(81-55(7)71(17-3)75(87-81)51-73(69)85-79)66-48-67(83(9,10)11)50-68(49-66)84(12,13)14;;2-1(3,4)5/h19-23,26-29,32-35,38-41,44-52H,15-18H2,1-14H3;;/q-2;+3;-1