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Platinum,2-(2-pyridin-2-ylethynyl)pyridine,triphenylphosphanium

Catalog Number ACM51455891
CAS 51455-89-1
Synonyms Platinum, [2,2'-(η2-1,2-ethynediyl)bis[pyridine]]bis(triphenylphosphine)- (9CI)
Molecular Weight 901.9
Molecular Formula C48H40N2P2Pt
Canonical SMILES C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=NC(=C1)C#CC2=CC=CC=N2.[Pt]
InChI InChI=1S/2C18H15P.C12H8N2.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12;/h2*1-15H;1-6,9-10H;/p+2
InChI Key LSAHKHYZYYNSIN-UHFFFAOYSA-P
Purity 98%
Complexity 828
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 901.231468
Heavy Atom Count 53
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Monoisotopic Mass 901.231468
Rotatable Bond Count 8
Topological Polar Surface Area 25.8 Ų

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