1,1'-biphenyl; phenyl-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]phosphanium; bromide

Systemtic Name: 1,1'-biphenyl; phenyl-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]phosphanium; bromide Openeye Name: biphenyl; [3-(6-isopropyl-8-quinolyl)phenyl]methyl-phenyl-phosphonium; bromide CAS Name: 1,1'-biphenyl; phenyl-[[3-(6-propan-2-yl-8-quinolinyl)phenyl]methyl]phosphonium; bromide IUPAC Name: 1,1'-biphenyl; phenyl-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methyl]phosphanium; bromide Traditional Name: biphenyl; [3-(6-isopropyl-8-quinolyl)benzyl]-phenyl-phosphonium; bromide Formula: C37H35BrNP MolecularWeight: 604.558261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C[PH2+]C4=CC=CC=C4.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C[PH2+]C4=CC=CC=C4.C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C25H24NP.C12H10.BrH/c1-18(2)22-15-21-10-7-13-26-25(21)24(16-22)20-9-6-8-19(14-20)17-27-23-11-4-3-5-12-23;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h3-16,18,27H,17H2,1-2H3;1-10H;1H