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

Catalog Number	ACM1242081293-1
CAS	1242081-29-3
Structure
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
Molecular Weight	912.2
Molecular Formula	C50H37BrN4O2Pd
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
Purity	96%
Complexity	1430
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Exact Mass	910.11347
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