4-[6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazol-3-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazol-3-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazol-3-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-[4-(6-ethynyl-9-hexadecyl-3-carbazolyl)buta-1,3-diynyl]-9-hexadecyl-3-carbazolyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-[4-(6-ethynyl-9-hexadecylcarbazol-3-yl)buta-1,3-diynyl]-9-hexadecylcarbazol-3-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9-cetyl-6-[4-(9-cetyl-6-ethynyl-carbazol-3-yl)buta-1,3-diynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol Formula: C67H86N2O MolecularWeight: 935.41254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C#C)C3=C1C=CC(=C3)C#CC#CC4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C#CC(C)(C)O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C#C)C3=C1C=CC(=C3)C#CC#CC4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C#CC(C)(C)O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C67H86N2O/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-35-49-68-63-43-39-55(8-3)51-59(63)60-52-56(40-44-64(60)68)37-33-34-38-57-41-45-65-61(53-57)62-54-58(47-48-67(4,5)70)42-46-66(62)69(65)50-36-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h3,39-46,51-54,70H,6-7,9-32,35-36,49-50H2,1-2,4-5H3