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]-21,22-dihydroporphyrin

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]-21,22-dihydroporphyrin 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]-21,22-dihydroporphyrin 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]-21,22-dihydroporphyrin 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]-21,22-dihydroporphyrin 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]-21,22-dihydroporphine Formula: C76H74N4 MolecularWeight: 1043.42756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)C)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#CC9=CC=CC=C9)C)CC)CC)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)C)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#CC9=CC=CC=C9)C)CC)CC)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C76H74N4/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/h19-23,26-29,32-35,38-46,79-80H,15-18H2,1-14H3