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

Systemtic Name: 4-[9-butyl-6-[4-[9-butyl-6-(3-methyl-3-oxidanyl-but-1-ynyl)carbazol-3-yl]buta-1,3-diynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[9-butyl-6-[4-[9-butyl-6-(3-hydroxy-3-methyl-but-1-ynyl)carbazol-3-yl]buta-1,3-diynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[9-butyl-6-[4-[9-butyl-6-(3-hydroxy-3-methylbut-1-ynyl)-3-carbazolyl]buta-1,3-diynyl]-3-carbazolyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[9-butyl-6-[4-[9-butyl-6-(3-hydroxy-3-methylbut-1-ynyl)carbazol-3-yl]buta-1,3-diynyl]carbazol-3-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9-butyl-6-[4-[9-butyl-6-(3-hydroxy-3-methyl-but-1-ynyl)carbazol-3-yl]buta-1,3-diynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol Formula: C46H44N2O2 MolecularWeight: 656.85376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C#CC#CC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C#CC(C)(C)O)CCCC)C6=C1C=CC(=C6)C#CC(C)(C)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C#CC#CC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C#CC(C)(C)O)CCCC)C6=C1C=CC(=C6)C#CC(C)(C)O

InChI

InChI=1S/C46H44N2O2/c1-7-9-27-47-41-19-15-33(29-37(41)39-31-35(17-21-43(39)47)23-25-45(3,4)49)13-11-12-14-34-16-20-42-38(30-34)40-32-36(24-26-46(5,6)50)18-22-44(40)48(42)28-10-8-2/h15-22,29-32,49-50H,7-10,27-28H2,1-6H3