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

Systemtic Name: 9-heptyl-3-iodanyl-6-(2-pyren-1-ylethynyl)carbazole Openeye Name: 9-heptyl-3-iodo-6-(2-pyren-1-ylethynyl)carbazole CAS Name: 9-heptyl-3-iodo-6-[2-(1-pyrenyl)ethynyl]carbazole IUPAC Name: 9-heptyl-3-iodo-6-(2-pyren-1-ylethynyl)carbazole Traditional Name: 9-heptyl-3-iodo-6-(2-pyren-1-ylethynyl)carbazole Formula: C37H30IN MolecularWeight: 615.54527

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C37H30IN/c1-2-3-4-5-6-22-39-34-20-11-25(23-32(34)33-24-30(38)18-21-35(33)39)10-12-26-13-14-29-16-15-27-8-7-9-28-17-19-31(26)37(29)36(27)28/h7-9,11,13-21,23-24H,2-6,22H2,1H3