4-[[10-[bis(4-isocyanophenyl)amino]perylen-3-yl]-(4-cyanophenyl)amino]benzenecarbonitrile

Systemtic Name: 4-[[10-[bis(4-isocyanophenyl)amino]perylen-3-yl]-(4-cyanophenyl)amino]benzenecarbonitrile Openeye Name: 4-(4-cyano-N-[10-(4-isocyano-N-(4-isocyanophenyl)anilino)perylen-3-yl]anilino)benzonitrile CAS Name: 4-(4-cyano-N-[10-(4-isocyano-N-(4-isocyanophenyl)anilino)-3-perylenyl]anilino)benzonitrile IUPAC Name: 4-(4-cyano-N-[10-(4-isocyano-N-(4-isocyanophenyl)anilino)perylen-3-yl]anilino)benzonitrile Traditional Name: 4-(4-cyano-N-[10-(4-isocyano-N-(4-isocyanophenyl)anilino)perylen-3-yl]anilino)benzonitrile Formula: C48H26N6 MolecularWeight: 686.76024

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)N(C2=CC=C(C=C2)[N+]#[C-])C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)N(C2=CC=C(C=C2)[N+]#[C-])C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N

InChI

InChI=1S/C48H26N6/c1-51-33-13-21-37(22-14-33)54(38-23-15-34(52-2)16-24-38)46-28-26-42-41-25-27-45(43-7-3-5-39(47(41)43)40-6-4-8-44(46)48(40)42)53(35-17-9-31(29-49)10-18-35)36-19-11-32(30-50)12-20-36/h3-28H