N1,N1,N6,N6-tetrakis[4-(2-phenylpropan-2-yl)phenyl]pyrene-1,6-diamine

Systemtic Name: N1,N1,N6,N6-tetrakis[4-(2-phenylpropan-2-yl)phenyl]pyrene-1,6-diamine Openeye Name: N1,N1,N6,N6-tetrakis[4-(1-methyl-1-phenyl-ethyl)phenyl]pyrene-1,6-diamine CAS Name: N1,N1,N6,N6-tetrakis[4-(2-phenylpropan-2-yl)phenyl]pyrene-1,6-diamine IUPAC Name: 1-N,1-N,6-N,6-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]pyrene-1,6-diamine Traditional Name: [6-(4-cumyl-N-(4-cumylphenyl)anilino)pyren-1-yl]-bis(4-cumylphenyl)amine Formula: C76H68N2 MolecularWeight: 1009.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)C(C)(C)C1=CC=CC=C1)C1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C=C5

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)C(C)(C)C1=CC=CC=C1)C1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C=C5

InChI

InChI=1S/C76H68N2/c1-73(2,55-21-13-9-14-22-55)59-33-41-63(42-34-59)77(64-43-35-60(36-44-64)74(3,4)56-23-15-10-16-24-56)69-51-31-53-30-50-68-70(52-32-54-29-49-67(69)71(53)72(54)68)78(65-45-37-61(38-46-65)75(5,6)57-25-17-11-18-26-57)66-47-39-62(40-48-66)76(7,8)58-27-19-12-20-28-58/h9-52H,1-8H3