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

Systemtic Name: 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one Openeye Name: 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one CAS Name: 3,9-bis[bis(9,9-dimethyl-2-fluorenyl)amino]-7-benzo[b]phenalenone IUPAC Name: 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one Traditional Name: 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one Formula: C77H60N2O MolecularWeight: 1029.3131

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=C7C(=C(C=C6)N(C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=CC=C7C5=O)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=C7C(=C(C=C6)N(C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=CC=C7C5=O)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

InChI

InChI=1S/C77H60N2O/c1-74(2)63-24-13-9-18-51(63)55-34-29-46(41-67(55)74)78(47-30-35-56-52-19-10-14-25-64(52)75(3,4)68(56)42-47)45-28-33-50-59-38-39-71(60-22-17-23-61(72(59)60)73(80)62(50)40-45)79(48-31-36-57-53-20-11-15-26-65(53)76(5,6)69(57)43-48)49-32-37-58-54-21-12-16-27-66(54)77(7,8)70(58)44-49/h9-44H,1-8H3