3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9-(4-iodophenyl)carbazol-3-yl]ethynyl]phenyl]carbazole

Systemtic Name: 3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9-(4-iodophenyl)carbazol-3-yl]ethynyl]phenyl]carbazole Openeye Name: 3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9-(4-iodophenyl)carbazol-3-yl]ethynyl]phenyl]carbazole CAS Name: 3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butyl-9-carbazolyl)phenyl]ethynyl]-9-(4-iodophenyl)-3-carbazolyl]ethynyl]phenyl]carbazole IUPAC Name: 3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9-(4-iodophenyl)carbazol-3-yl]ethynyl]phenyl]carbazole Traditional Name: 3,6-ditert-butyl-9-[4-[2-[6-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]-9-(4-iodophenyl)carbazol-3-yl]ethynyl]phenyl]carbazole Formula: C74H66IN3 MolecularWeight: 1124.24041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C#CC5=CC6=C(C=C5)N(C7=C6C=C(C=C7)C#CC8=CC=C(C=C8)N9C1=C(C=C(C=C1)C(C)(C)C)C1=C9C=CC(=C1)C(C)(C)C)C1=CC=C(C=C1)I

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C#CC5=CC6=C(C=C5)N(C7=C6C=C(C=C7)C#CC8=CC=C(C=C8)N9C1=C(C=C(C=C1)C(C)(C)C)C1=C9C=CC(=C1)C(C)(C)C)C1=CC=C(C=C1)I

InChI

InChI=1S/C74H66IN3/c1-71(2,3)51-23-37-67-61(43-51)62-44-52(72(4,5)6)24-38-68(62)76(67)56-29-17-47(18-30-56)13-15-49-21-35-65-59(41-49)60-42-50(22-36-66(60)78(65)58-33-27-55(75)28-34-58)16-14-48-19-31-57(32-20-48)77-69-39-25-53(73(7,8)9)45-63(69)64-46-54(74(10,11)12)26-40-70(64)77/h17-46H,1-12H3