2,4,6-triphenyl-1-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium diiodide

Systemtic Name: 2,4,6-triphenyl-1-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium diiodide Openeye Name: 2,4,6-triphenyl-1-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium diiodide CAS Name: 2,4,6-triphenyl-1-[5-(2,4,6-triphenyl-1-pyridin-1-iumyl)pentyl]pyridin-1-ium diiodide IUPAC Name: 2,4,6-triphenyl-1-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium diiodide Traditional Name: 2,4,6-triphenyl-1-[5-(2,4,6-triphenylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium diiodide Formula: C51H44I2N2 MolecularWeight: 938.7174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCCC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[I-].[I-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCCC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[I-].[I-]

InChI

InChI=1S/C51H44N2.2HI/c1-8-22-40(23-9-1)46-36-48(42-26-12-3-13-27-42)52(49(37-46)43-28-14-4-15-29-43)34-20-7-21-35-53-50(44-30-16-5-17-31-44)38-47(41-24-10-2-11-25-41)39-51(53)45-32-18-6-19-33-45;;/h1-6,8-19,22-33,36-39H,7,20-21,34-35H2;2*1H/q+2;;/p-2