3,9-bis[(9,9-dimethylfluoren-2-yl)-phenyl-amino]benzo[b]phenalen-7-one

Systemtic Name: 3,9-bis[(9,9-dimethylfluoren-2-yl)-phenyl-amino]benzo[b]phenalen-7-one Openeye Name: 3,9-bis(N-(9,9-dimethylfluoren-2-yl)anilino)benzo[b]phenalen-7-one CAS Name: 3,9-bis(N-(9,9-dimethyl-2-fluorenyl)anilino)-7-benzo[b]phenalenone IUPAC Name: 3,9-bis(N-(9,9-dimethylfluoren-2-yl)anilino)benzo[b]phenalen-7-one Traditional Name: 3,9-bis(N-(9,9-dimethylfluoren-2-yl)anilino)benzo[b]phenalen-7-one Formula: C59H44N2O MolecularWeight: 796.99346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=C8C(=C(C=C7)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=CC=C8C6=O)C

Isomeric SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=C8C(=C(C=C7)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=CC=C8C6=O)C

InChI

InChI=1S/C59H44N2O/c1-58(2)51-24-13-11-20-43(51)45-30-27-40(35-53(45)58)60(37-16-7-5-8-17-37)39-26-29-42-47-32-33-55(48-22-15-23-49(56(47)48)57(62)50(42)34-39)61(38-18-9-6-10-19-38)41-28-31-46-44-21-12-14-25-52(44)59(3,4)54(46)36-41/h5-36H,1-4H3