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

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CAS
1242081-29-3
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Purity
96%
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Catalog Number

ACM1242081293-1

Product Name

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

Structure

CAS

1242081-29-3

Category

Heterocyclic Organic Compound

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

Complexity

1430

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

910.11347

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

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

Topological Polar Surface Area

65.3 Å²

MSDS

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COA

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Spec Sheet

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