Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)]

• CAS: 1242081-29-3
• Catalog Number: ACM1242081293-1
• Category: Other Products
• Molecular Weight: 912.2
• Molecular Formula: C50H37BrN4O2Pd
• Synonyms: [(4S,5S)-2-[3-[(4S,5S)-1-Benzoyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]benzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-phenylmethanone;palladium(2+);bromide
• IUPAC Name: [(4S,5S)-2-[3-[(4S,5S)-1-benzoyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]benzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-phenylmethanone;palladium(2+);bromide
• Canonical SMILES: C1=CC=C(C=C1)C2C(N(C(=N2)C3=[C-]C(=CC=C3)C4=NC(C(N4C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)C9=CC=CC=C9.[Br-].[Pd+2]
• InChI: InChI=1S/C50H37N4O2.BrH.Pd/c55-49(39-28-15-5-16-29-39)53-45(37-24-11-3-12-25-37)43(35-20-7-1-8-21-35)51-47(53)41-32-19-33-42(34-41)48-52-44(36-22-9-2-10-23-36)46(38-26-13-4-14-27-38)54(48)50(56)40-30-17-6-18-31-40;/h1-33,43-46H;1H;/q-1;+2/p-1/t43-,44-,45-,46-;/m0/s1
• InChI Key: KZAGTVGVDHDPDZ-MPWDBGIYSA-M
• Complexity: 1430
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 4
• Exact Mass: 910.11347
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 58
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N(C(=N2)C3=[C-]C(=CC=C3)C4=N[C@H]([C@@H](N4C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)C9=CC=CC=C9.[Br-].[Pd+2]
• Monoisotopic Mass: 910.11347
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 65.3 Ų