triphenyl-[4-[1-[4-(triphenylazaniumyl)phenyl]cyclohexyl]phenyl]azanium diiodide

Systemtic Name: triphenyl-[4-[1-[4-(triphenylazaniumyl)phenyl]cyclohexyl]phenyl]azanium diiodide Openeye Name: triphenyl-[4-[1-[4-(triphenylammonio)phenyl]cyclohexyl]phenyl]ammonium diiodide CAS Name: triphenyl-[4-[1-[4-(triphenylammonio)phenyl]cyclohexyl]phenyl]ammonium diiodide IUPAC Name: triphenyl-[4-[1-[4-(triphenylazaniumyl)phenyl]cyclohexyl]phenyl]azanium diiodide Traditional Name: triphenyl-[4-[1-[4-(triphenylammonio)phenyl]cyclohexyl]phenyl]ammonium diiodide Formula: C54H48I2N2 MolecularWeight: 978.78126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=C(C=C2)[N+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.[I-].[I-]

Isomeric SMILES

C1CCC(CC1)(C2=CC=C(C=C2)[N+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.[I-].[I-]

InChI

InChI=1S/C54H48N2.2HI/c1-8-22-46(23-9-1)55(47-24-10-2-11-25-47,48-26-12-3-13-27-48)52-38-34-44(35-39-52)54(42-20-7-21-43-54)45-36-40-53(41-37-45)56(49-28-14-4-15-29-49,50-30-16-5-17-31-50)51-32-18-6-19-33-51;;/h1-6,8-19,22-41H,7,20-21,42-43H2;2*1H/q+2;;/p-2