3,6-bis[2-(6-iodanyl-9-tetradecyl-9H-fluoren-3-yl)ethynyl]-9-tetradecyl-9H-fluorene

Systemtic Name: 3,6-bis[2-(6-iodanyl-9-tetradecyl-9H-fluoren-3-yl)ethynyl]-9-tetradecyl-9H-fluorene Openeye Name: 3,6-bis[2-(6-iodo-9-tetradecyl-9H-fluoren-3-yl)ethynyl]-9-tetradecyl-9H-fluorene CAS Name: 3,6-bis[2-(6-iodo-9-tetradecyl-9H-fluoren-3-yl)ethynyl]-9-tetradecyl-9H-fluorene IUPAC Name: 3,6-bis[2-(6-iodo-9-tetradecyl-9H-fluoren-3-yl)ethynyl]-9-tetradecyl-9H-fluorene Traditional Name: 3,6-bis[2-(6-iodo-9-myristyl-9H-fluoren-3-yl)ethynyl]-9-myristyl-9H-fluorene Formula: C85H108I2 MolecularWeight: 1383.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)C(C5=C4C=C(C=C5)I)CCCCCCCCCCCCCC)C6=C1C=CC(=C6)C#CC7=CC8=C(C=C7)C(C9=C8C=C(C=C9)I)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC1C2=C(C=C(C=C2)C#CC3=CC4=C(C=C3)C(C5=C4C=C(C=C5)I)CCCCCCCCCCCCCC)C6=C1C=CC(=C6)C#CC7=CC8=C(C=C7)C(C9=C8C=C(C=C9)I)CCCCCCCCCCCCCC

InChI

InChI=1S/C85H108I2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-71-74-53-47-65(43-45-67-49-55-76-72(78-57-51-69(86)63-84(78)82(76)61-67)41-38-35-32-29-26-23-20-17-14-11-8-5-2)59-80(74)81-60-66(48-54-75(71)81)44-46-68-50-56-77-73(79-58-52-70(87)64-85(79)83(77)62-68)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h47-64,71-73H,4-42H2,1-3H3