molecular bromine; 2,3,4,5,6-pentakis-phenyl-1-(phenylmethyl)pyridin-1-ium; bromide

Systemtic Name: molecular bromine; 2,3,4,5,6-pentakis-phenyl-1-(phenylmethyl)pyridin-1-ium; bromide Openeye Name: 1-benzyl-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium; molecular bromine; bromide CAS Name: molecular bromine; 2,3,4,5,6-pentakis-phenyl-1-(phenylmethyl)pyridin-1-ium; bromide IUPAC Name: 1-benzyl-2,3,4,5,6-pentakis-phenylpyridin-1-ium; molecular bromine; bromide Traditional Name: 1-benzyl-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium; molecular bromine; bromide Formula: C42H32Br3N MolecularWeight: 790.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Br-].BrBr

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Br-].BrBr

InChI

InChI=1S/C42H32N.Br2.BrH/c1-7-19-32(20-8-1)31-43-41(36-27-15-5-16-28-36)39(34-23-11-3-12-24-34)38(33-21-9-2-10-22-33)40(35-25-13-4-14-26-35)42(43)37-29-17-6-18-30-37;1-2;/h1-30H,31H2;;1H/q+1;;/p-1