N3,N3,N10,N10-tetrakis(1,3-benzothiazol-2-yl)perylene-3,10-diamine

Systemtic Name: N3,N3,N10,N10-tetrakis(1,3-benzothiazol-2-yl)perylene-3,10-diamine Openeye Name: N3,N3,N10,N10-tetrakis(1,3-benzothiazol-2-yl)perylene-3,10-diamine CAS Name: N3,N3,N10,N10-tetrakis(1,3-benzothiazol-2-yl)perylene-3,10-diamine IUPAC Name: 3-N,3-N,10-N,10-N-tetrakis(1,3-benzothiazol-2-yl)perylene-3,10-diamine Traditional Name: bis(1,3-benzothiazol-2-yl)-[10-[bis(1,3-benzothiazol-2-yl)amino]perylen-3-yl]amine Formula: C48H26N6S4 MolecularWeight: 815.02024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=NC9=CC=CC=C9S8)C1=NC2=CC=CC=C2S1)C1=NC2=CC=CC=C2S1

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=NC9=CC=CC=C9S8)C1=NC2=CC=CC=C2S1)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C48H26N6S4/c1-5-19-39-33(15-1)49-45(55-39)53(46-50-34-16-2-6-20-40(34)56-46)37-25-23-29-30-24-26-38(32-14-10-12-28(44(30)32)27-11-9-13-31(37)43(27)29)54(47-51-35-17-3-7-21-41(35)57-47)48-52-36-18-4-8-22-42(36)58-48/h1-26H