4-[9-heptyl-6-(2-pyren-1-ylethynyl)carbazol-3-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[9-heptyl-6-(2-pyren-1-ylethynyl)carbazol-3-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[9-heptyl-6-(2-pyren-1-ylethynyl)carbazol-3-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[9-heptyl-6-[2-(1-pyrenyl)ethynyl]-3-carbazolyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[9-heptyl-6-(2-pyren-1-ylethynyl)carbazol-3-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9-heptyl-6-(2-pyren-1-ylethynyl)carbazol-3-yl]-2-methyl-but-3-yn-2-ol Formula: C42H37NO MolecularWeight: 571.74928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=CC(=C7)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=CC(=C7)C#CC(C)(C)O

InChI

InChI=1S/C42H37NO/c1-4-5-6-7-8-26-43-38-22-13-29(27-36(38)37-28-30(14-23-39(37)43)24-25-42(2,3)44)12-15-31-16-17-34-19-18-32-10-9-11-33-20-21-35(31)41(34)40(32)33/h9-11,13-14,16-23,27-28,44H,4-8,26H2,1-3H3