N1,N1,N6,N6-tetrakis(9,9-dimethylfluoren-2-yl)pyrene-1,6-diamine

Systemtic Name: N1,N1,N6,N6-tetrakis(9,9-dimethylfluoren-2-yl)pyrene-1,6-diamine Openeye Name: N1,N1,N6,N6-tetrakis(9,9-dimethylfluoren-2-yl)pyrene-1,6-diamine CAS Name: N1,N1,N6,N6-tetrakis(9,9-dimethyl-2-fluorenyl)pyrene-1,6-diamine IUPAC Name: 1-N,1-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)pyrene-1,6-diamine Traditional Name: [6-[bis(9,9-dimethylfluoren-2-yl)amino]pyren-1-yl]-bis(9,9-dimethylfluoren-2-yl)amine Formula: C76H60N2 MolecularWeight: 1001.303

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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=CC=CC=C6C5(C)C)C7=C8C=CC9=C1C8=C(C=CC1=C(C=C9)N(C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=C7)C

Isomeric SMILES

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C)C)C7=C8C=CC9=C1C8=C(C=CC1=C(C=C9)N(C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C=C7)C

InChI

InChI=1S/C76H60N2/c1-73(2)61-21-13-9-17-51(61)55-35-29-47(41-65(55)73)77(48-30-36-56-52-18-10-14-22-62(52)74(3,4)66(56)42-48)69-39-27-45-26-34-60-70(40-28-46-25-33-59(69)71(45)72(46)60)78(49-31-37-57-53-19-11-15-23-63(53)75(5,6)67(57)43-49)50-32-38-58-54-20-12-16-24-64(54)76(7,8)68(58)44-50/h9-44H,1-8H3