[5-[6-(azaniumylmethyl)-2-diphenylphosphanyl-naphthalen-1-yl]-6-diphenylphosphanyl-naphthalen-2-yl]methylazanium dibromide

Systemtic Name: [5-[6-(azaniumylmethyl)-2-diphenylphosphanyl-naphthalen-1-yl]-6-diphenylphosphanyl-naphthalen-2-yl]methylazanium dibromide Openeye Name: [5-[6-(azaniumylmethyl)-2-diphenylphosphanyl-1-naphthyl]-6-diphenylphosphanyl-2-naphthyl]methylammonium dibromide CAS Name: [5-[6-(ammoniomethyl)-2-diphenylphosphino-1-naphthalenyl]-6-diphenylphosphino-2-naphthalenyl]methylammonium dibromide IUPAC Name: [5-[6-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium dibromide Traditional Name: [5-[6-(ammoniomethyl)-2-diphenylphosphino-1-naphthyl]-6-diphenylphosphino-2-naphthyl]methylammonium dibromide Formula: C46H40Br2N2P2 MolecularWeight: 842.578722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)C=C(C=C4)C[NH3+])C5=C(C=CC6=C5C=CC(=C6)C[NH3+])P(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)C=C(C=C4)C[NH3+])C5=C(C=CC6=C5C=CC(=C6)C[NH3+])P(C7=CC=CC=C7)C8=CC=CC=C8.[Br-].[Br-]

InChI

InChI=1S/C46H38N2P2.2BrH/c47-31-33-21-25-41-35(29-33)23-27-43(49(37-13-5-1-6-14-37)38-15-7-2-8-16-38)45(41)46-42-26-22-34(32-48)30-36(42)24-28-44(46)50(39-17-9-3-10-18-39)40-19-11-4-12-20-40;;/h1-30H,31-32,47-48H2;2*1H