N3,N3,N9,N9-tetrakis(4-ethylsulfanylphenyl)perylene-3,9-diamine

Systemtic Name: N3,N3,N9,N9-tetrakis(4-ethylsulfanylphenyl)perylene-3,9-diamine Openeye Name: N3,N3,N9,N9-tetrakis(4-ethylsulfanylphenyl)perylene-3,9-diamine CAS Name: N3,N3,N9,N9-tetrakis[4-(ethylthio)phenyl]perylene-3,9-diamine IUPAC Name: 3-N,3-N,9-N,9-N-tetrakis(4-ethylsulfanylphenyl)perylene-3,9-diamine Traditional Name: [9-[4-(ethylthio)-N-[4-(ethylthio)phenyl]anilino]perylen-3-yl]-bis[4-(ethylthio)phenyl]amine Formula: C52H46N2S4 MolecularWeight: 827.19504

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)N(C2=CC=C(C=C2)SCC)C3=CC=C4C5=C6C(=CC=C5)C(=CC=C6C7=C4C3=CC=C7)N(C8=CC=C(C=C8)SCC)C9=CC=C(C=C9)SCC

Isomeric SMILES

CCSC1=CC=C(C=C1)N(C2=CC=C(C=C2)SCC)C3=CC=C4C5=C6C(=CC=C5)C(=CC=C6C7=C4C3=CC=C7)N(C8=CC=C(C=C8)SCC)C9=CC=C(C=C9)SCC

InChI

InChI=1S/C52H46N2S4/c1-5-55-39-23-15-35(16-24-39)53(36-17-25-40(26-18-36)56-6-2)49-33-31-45-44-12-10-14-48-50(34-32-46(52(44)48)43-11-9-13-47(49)51(43)45)54(37-19-27-41(28-20-37)57-7-3)38-21-29-42(30-22-38)58-8-4/h9-34H,5-8H2,1-4H3