3-ethynyl-9-heptyl-6-(2-pyren-1-ylethynyl)carbazole

Systemtic Name: 3-ethynyl-9-heptyl-6-(2-pyren-1-ylethynyl)carbazole Openeye Name: 3-ethynyl-9-heptyl-6-(2-pyren-1-ylethynyl)carbazole CAS Name: 3-ethynyl-9-heptyl-6-[2-(1-pyrenyl)ethynyl]carbazole IUPAC Name: 3-ethynyl-9-heptyl-6-(2-pyren-1-ylethynyl)carbazole Traditional Name: 3-ethynyl-9-heptyl-6-(2-pyren-1-ylethynyl)carbazole Formula: C39H31N MolecularWeight: 513.67014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)C#C)C3=C1C=CC(=C3)C#CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)C#C)C3=C1C=CC(=C3)C#CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

InChI

InChI=1S/C39H31N/c1-3-5-6-7-8-24-40-36-22-13-27(4-2)25-34(36)35-26-28(14-23-37(35)40)12-15-29-16-17-32-19-18-30-10-9-11-31-20-21-33(29)39(32)38(30)31/h2,9-11,13-14,16-23,25-26H,3,5-8,24H2,1H3