3-ethynyl-6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazole

Systemtic Name: 3-ethynyl-6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazole Openeye Name: 3-ethynyl-6-[4-(6-ethynyl-9-hexadecyl-carbazol-3-yl)buta-1,3-diynyl]-9-hexadecyl-carbazole CAS Name: 3-ethynyl-6-[4-(6-ethynyl-9-hexadecyl-3-carbazolyl)buta-1,3-diynyl]-9-hexadecylcarbazole IUPAC Name: 3-ethynyl-6-[4-(6-ethynyl-9-hexadecylcarbazol-3-yl)buta-1,3-diynyl]-9-hexadecylcarbazole Traditional Name: 9-cetyl-3-[4-(9-cetyl-6-ethynyl-carbazol-3-yl)buta-1,3-diynyl]-6-ethynyl-carbazole Formula: C64H80N2 MolecularWeight: 877.3334

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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#C)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#C)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H80N2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-35-47-65-61-43-39-53(7-3)49-57(61)59-51-55(41-45-63(59)65)37-33-34-38-56-42-46-64-60(52-56)58-50-54(8-4)40-44-62(58)66(64)48-36-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h3-4,39-46,49-52H,5-6,9-32,35-36,47-48H2,1-2H3