N3,N3,N9,N9-tetrakis[4-(phenylmethyl)phenyl]perylene-3,9-diamine

Systemtic Name: N3,N3,N9,N9-tetrakis[4-(phenylmethyl)phenyl]perylene-3,9-diamine Openeye Name: N3,N3,N9,N9-tetrakis(4-benzylphenyl)perylene-3,9-diamine CAS Name: N3,N3,N9,N9-tetrakis[4-(phenylmethyl)phenyl]perylene-3,9-diamine IUPAC Name: 3-N,3-N,9-N,9-N-tetrakis(4-benzylphenyl)perylene-3,9-diamine Traditional Name: [9-(4-benzyl-N-(4-benzylphenyl)anilino)perylen-3-yl]-bis(4-benzylphenyl)amine Formula: C72H54N2 MolecularWeight: 947.21256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C3=CC=C(C=C3)CC4=CC=CC=C4)C5=CC=C6C7=C8C(=CC=C7)C(=CC=C8C9=C6C5=CC=C9)N(C1=CC=C(C=C1)CC1=CC=CC=C1)C1=CC=C(C=C1)CC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C3=CC=C(C=C3)CC4=CC=CC=C4)C5=CC=C6C7=C8C(=CC=C7)C(=CC=C8C9=C6C5=CC=C9)N(C1=CC=C(C=C1)CC1=CC=CC=C1)C1=CC=C(C=C1)CC1=CC=CC=C1

InChI

InChI=1S/C72H54N2/c1-5-15-51(16-6-1)47-55-27-35-59(36-28-55)73(60-37-29-56(30-38-60)48-52-17-7-2-8-18-52)69-45-43-65-64-24-14-26-68-70(46-44-66(72(64)68)63-23-13-25-67(69)71(63)65)74(61-39-31-57(32-40-61)49-53-19-9-3-10-20-53)62-41-33-58(34-42-62)50-54-21-11-4-12-22-54/h1-46H,47-50H2