9-heptyl-3-[2-(9-heptylcarbazol-3-yl)ethynyl]-6-[2-(9-heptyl-6-iodanyl-carbazol-3-yl)ethynyl]carbazole

Systemtic Name: 9-heptyl-3-[2-(9-heptylcarbazol-3-yl)ethynyl]-6-[2-(9-heptyl-6-iodanyl-carbazol-3-yl)ethynyl]carbazole Openeye Name: 9-heptyl-3-[2-(9-heptylcarbazol-3-yl)ethynyl]-6-[2-(9-heptyl-6-iodo-carbazol-3-yl)ethynyl]carbazole CAS Name: 9-heptyl-3-[2-(9-heptyl-3-carbazolyl)ethynyl]-6-[2-(9-heptyl-6-iodo-3-carbazolyl)ethynyl]carbazole IUPAC Name: 9-heptyl-3-[2-(9-heptylcarbazol-3-yl)ethynyl]-6-[2-(9-heptyl-6-iodocarbazol-3-yl)ethynyl]carbazole Traditional Name: 9-heptyl-3-[2-(9-heptylcarbazol-3-yl)ethynyl]-6-[2-(9-heptyl-6-iodo-carbazol-3-yl)ethynyl]carbazole Formula: C61H64IN3 MolecularWeight: 966.08543

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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=CC8=C(C=C7)N(C9=CC=CC=C98)CCCCCCC

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=CC8=C(C=C7)N(C9=CC=CC=C98)CCCCCCC

InChI

InChI=1S/C61H64IN3/c1-4-7-10-13-18-37-63-56-22-17-16-21-50(56)51-40-45(27-32-57(51)63)23-24-46-28-33-58-52(41-46)53-42-47(29-34-59(53)64(58)38-19-14-11-8-5-2)25-26-48-30-35-60-54(43-48)55-44-49(62)31-36-61(55)65(60)39-20-15-12-9-6-3/h16-17,21-22,27-36,40-44H,4-15,18-20,37-39H2,1-3H3