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palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen
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ChemBase ID:
70649
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Molecular Formular:
C35H7Cl4FeP2Pd
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Molecular Mass:
793.454602
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Monoisotopic Mass:
790.7161327
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SMILES and InChIs
SMILES:
C(#CC#CC#CC#CC#CC#CC#CC#CC#C)C#CC#CC#CC#CC#CC#CC#CC#CC.Cl[Cl](Cl)[Cl]([Fe])[PH-]P.[Pd+]
Canonical SMILES:
P[PH-][Cl]([Cl](Cl)Cl)[Fe].CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.[Pd+]
InChI:
InChI=1S/C35H4.Cl4H2P2.Fe.Pd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4(2)3-6-5;;/h1H,2H3;5H2;;/q;;-1;+1
InChIKey:
PLINNICORDSVSP-UHFFFAOYSA-N
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Cite this record
CBID:70649 http://www.chembase.cn/molecule-70649.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen
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IUPAC Traditional name
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palladium(1+) ion 1-(2-chloro-1-ferrio-1$l^{3},2$l^{3}-trichloran-1-yl)diphosphanide pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne tridecahydrogen
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Synonyms
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1,1'-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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8.571781
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LogD (pH = 7.4)
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8.571781
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Log P
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8.571781
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Molar Refractivity
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151.0812 cm3
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Polarizability
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46.564632 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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17
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent