4-[9-heptyl-6-[2-(9-heptylcarbazol-3-yl)ethynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[9-heptyl-6-[2-(9-heptylcarbazol-3-yl)ethynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[9-heptyl-6-[2-(9-heptylcarbazol-3-yl)ethynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[9-heptyl-6-[2-(9-heptyl-3-carbazolyl)ethynyl]-3-carbazolyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[9-heptyl-6-[2-(9-heptylcarbazol-3-yl)ethynyl]carbazol-3-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9-heptyl-6-[2-(9-heptylcarbazol-3-yl)ethynyl]carbazol-3-yl]-2-methyl-but-3-yn-2-ol Formula: C45H50N2O MolecularWeight: 634.8913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=CC=CC=C54)CCCCCCC)C6=C1C=CC(=C6)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=CC=CC=C54)CCCCCCC)C6=C1C=CC(=C6)C#CC(C)(C)O

InChI

InChI=1S/C45H50N2O/c1-5-7-9-11-15-29-46-41-18-14-13-17-37(41)38-31-34(21-24-42(38)46)19-20-35-22-25-43-39(32-35)40-33-36(27-28-45(3,4)48)23-26-44(40)47(43)30-16-12-10-8-6-2/h13-14,17-18,21-26,31-33,48H,5-12,15-16,29-30H2,1-4H3