2,7-bis[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]fluoren-9-one

Systemtic Name: 2,7-bis[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]fluoren-9-one Openeye Name: 2,7-bis[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]fluoren-9-one CAS Name: 2,7-bis[2-[4-(3,6-ditert-butyl-9-carbazolyl)phenyl]ethynyl]-9-fluorenone IUPAC Name: 2,7-bis[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]fluoren-9-one Traditional Name: 2,7-bis[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethynyl]fluoren-9-one Formula: C69H62N2O MolecularWeight: 935.24338

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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)C7=C(C6=O)C=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

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)C7=C(C6=O)C=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

InChI

InChI=1S/C69H62N2O/c1-66(2,3)47-23-33-61-55(39-47)56-40-48(67(4,5)6)24-34-62(56)70(61)51-27-17-43(18-28-51)13-15-45-21-31-53-54-32-22-46(38-60(54)65(72)59(53)37-45)16-14-44-19-29-52(30-20-44)71-63-35-25-49(68(7,8)9)41-57(63)58-42-50(69(10,11)12)26-36-64(58)71/h17-42H,1-12H3