Mrv0541 02241205442D          

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M  END
> <DATABASE_ID>
T3D1587

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Pd](Cl)(P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;

> <INCHI_KEY>
ILBDOZRDKNIJBS-UHFFFAOYSA-N

> <FORMULA>
C36H32Cl2P2Pd

> <MOLECULAR_WEIGHT>
703.91

> <EXACT_MASS>
702.039112549

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
63.45652536456243

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[dichloro(triphenyl-λ⁵-phosphanyl)palladio]triphenyl-λ⁵-phosphane

> <ALOGPS_LOGP>
9.21

> <JCHEM_LOGP>
10.8302

> <ALOGPS_LOGS>
-8.57

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
177.11839999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[dichloro(triphenyl-λ⁵-phosphanyl)palladio]triphenyl-λ⁵-phosphane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1587

> <NAME>
trans-Dichlorobis-(triphenylphosphine) palladium(II)

> <CAS>
965-03-2

> <SYNONYMS>
Dichlorobis(triphenylphosphine)palladium(II); Palladium(II)bis(triphenylphosphine) dichloride

> <TYPES>
Organic Compound; Aromatic Hydrocarbon; Palladium Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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