5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-dodecylthiophen-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-dodecylthiophen-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-dodecyl-2-thienyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-dodecyl-2-thiophenyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-dodecylthiophen-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-lauryl-2-thienyl)-21,22-dihydroporphine Formula: C80H106N4S2 MolecularWeight: 1187.85444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CSC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CS8)CCCCCCCCCCCC)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N3

Isomeric SMILES

CCCCCCCCCCCCC1=CSC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CS8)CCCCCCCCCCCC)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N3

InChI

InChI=1S/C80H106N4S2/c1-15-17-19-21-23-25-27-29-31-33-35-55-45-71(85-53-55)75-67-41-37-63(81-67)73(57-47-59(77(3,4)5)51-60(48-57)78(6,7)8)65-39-43-69(83-65)76(72-46-56(54-86-72)36-34-32-30-28-26-24-22-20-18-16-2)70-44-40-66(84-70)74(64-38-42-68(75)82-64)58-49-61(79(9,10)11)52-62(50-58)80(12,13)14/h37-54,81,83H,15-36H2,1-14H3