9-heptyl-3-[2-(9-heptyl-6-iodanyl-carbazol-3-yl)ethynyl]-6-(2-pyren-1-ylethynyl)carbazole

Systemtic Name: 9-heptyl-3-[2-(9-heptyl-6-iodanyl-carbazol-3-yl)ethynyl]-6-(2-pyren-1-ylethynyl)carbazole Openeye Name: 9-heptyl-3-[2-(9-heptyl-6-iodo-carbazol-3-yl)ethynyl]-6-(2-pyren-1-ylethynyl)carbazole CAS Name: 9-heptyl-3-[2-(9-heptyl-6-iodo-3-carbazolyl)ethynyl]-6-[2-(1-pyrenyl)ethynyl]carbazole IUPAC Name: 9-heptyl-3-[2-(9-heptyl-6-iodocarbazol-3-yl)ethynyl]-6-(2-pyren-1-ylethynyl)carbazole Traditional Name: 9-heptyl-3-[2-(9-heptyl-6-iodo-carbazol-3-yl)ethynyl]-6-(2-pyren-1-ylethynyl)carbazole Formula: C58H51IN2 MolecularWeight: 902.94341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)I)CCCCCCC)C6=C1C=CC(=C6)C#CC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)N(C5=C4C=C(C=C5)I)CCCCCCC)C6=C1C=CC(=C6)C#CC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C58H51IN2/c1-3-5-7-9-11-34-60-53-30-19-40(16-17-41-20-31-55-51(37-41)52-39-47(59)28-33-56(52)61(55)35-12-10-8-6-4-2)36-49(53)50-38-42(21-32-54(50)60)18-22-43-23-24-46-26-25-44-14-13-15-45-27-29-48(43)58(46)57(44)45/h13-15,19-21,23-33,36-39H,3-12,34-35H2,1-2H3