methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)azaniumyl]pyren-4-yl]azanium

Systemtic Name: methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)azaniumyl]pyren-4-yl]azanium Openeye Name: methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)ammonio]pyren-4-yl]ammonium CAS Name: methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)ammonio]-4-pyrenyl]ammonium IUPAC Name: methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)azaniumyl]pyren-4-yl]azanium Traditional Name: methyl-diphenyl-[1,3,6-tris[methyl(diphenyl)ammonio]pyren-4-yl]ammonium Formula: C68H58N4+4 MolecularWeight: 931.21492

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=C4C=C(C5=C(C=C(C6=C5C4=C(C=C6)C=C3)[N+](C)(C7=CC=CC=C7)C8=CC=CC=C8)[N+](C)(C9=CC=CC=C9)C1=CC=CC=C1)[N+](C)(C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

C[N+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=C4C=C(C5=C(C=C(C6=C5C4=C(C=C6)C=C3)[N+](C)(C7=CC=CC=C7)C8=CC=CC=C8)[N+](C)(C9=CC=CC=C9)C1=CC=CC=C1)[N+](C)(C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C68H58N4/c1-69(52-29-13-5-14-30-52,53-31-15-6-16-32-53)62-48-46-51-45-47-60-63(70(2,54-33-17-7-18-34-54)55-35-19-8-20-36-55)50-65(72(4,58-41-25-11-26-42-58)59-43-27-12-28-44-59)68-64(49-61(62)66(51)67(60)68)71(3,56-37-21-9-22-38-56)57-39-23-10-24-40-57/h5-50H,1-4H3/q+4