1-[2-(9,9-diheptyl-7-iodanyl-fluoren-2-yl)ethynyl]pyrene

Systemtic Name: 1-[2-(9,9-diheptyl-7-iodanyl-fluoren-2-yl)ethynyl]pyrene Openeye Name: 1-[2-(9,9-diheptyl-7-iodo-fluoren-2-yl)ethynyl]pyrene CAS Name: 1-[2-(9,9-diheptyl-7-iodo-2-fluorenyl)ethynyl]pyrene IUPAC Name: 1-[2-(9,9-diheptyl-7-iodofluoren-2-yl)ethynyl]pyrene Traditional Name: 1-[2-(9,9-diheptyl-7-iodo-fluoren-2-yl)ethynyl]pyrene Formula: C45H45I MolecularWeight: 712.74327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=C(C=CC(=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=C(C=C7)I)CCCCCCC

Isomeric SMILES

CCCCCCCC1(C2=C(C=CC(=C2)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C1C=C(C=C7)I)CCCCCCC

InChI

InChI=1S/C45H45I/c1-3-5-7-9-11-28-45(29-12-10-8-6-4-2)41-30-32(17-25-39(41)40-27-24-37(46)31-42(40)45)16-18-33-19-20-36-22-21-34-14-13-15-35-23-26-38(33)44(36)43(34)35/h13-15,17,19-27,30-31H,3-12,28-29H2,1-2H3