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72287-26-4 molecular structure
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palladium(2+) ion λ2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride

ChemBase ID: 125067
Molecular Formular: C34H28Cl2FeP2Pd
Molecular Mass: 731.704642
Monoisotopic Mass: 729.94275302
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.[Cl-].[Cl-].[Fe+2].[Pd+2]
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.c1ccc(cc1)P(c1ccccc1)C1=CC=C[CH-]1.[Cl-].[Cl-].[Fe+2].[Pd+2]
InChI:
InChI=1S/2C17H14P.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKey:
NXQGGXCHGDYOHB-UHFFFAOYSA-L

Cite this record

CBID:125067 http://www.chembase.cn/molecule-125067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
palladium(2+) ion λ2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
IUPAC Traditional name
palladium(2+) ion λ2-iron(2+) ion bis(2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichloride
Synonyms
(1,1'-Bis(diphenylphosphino)ferrocene)palladium(II) dichloride
CAS Number
72287-26-4
PubChem SID
162219417
PubChem CID
71308128
Chemspider ID
24602493
Wikipedia Title
(1,1'-Bis(diphenylphosphino)ferrocene)palladium(II)_dichloride

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 3.6359  Acid pKa 13.126507 
H Acceptors H Donor
LogD (pH = 7.4) 3.6358993  Log P 5.1634 
Molar Refractivity 77.2799 cm3 Polarizability 30.72884 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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