bis(palladium);bis(tris(2-methylphenyl)phosphane)

C42H42P2Pd2 — CID 175817621

IUPACbis(palladium);bis(tris(2-methylphenyl)phosphane)
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd].[Pd]
InChIInChI=1S/2C21H21P.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h2*4-15H,1-3H3;;
InChIKeyWQVTZCQPTVKKGS-UHFFFAOYSA-N
MW821.59 g/mol
LogP8.74
Rot. Bonds6

About bis(palladium);bis(tris(2-methylphenyl)phosphane)

bis(palladium);bis(tris(2-methylphenyl)phosphane) (PubChem CID 175817621) has the molecular formula C42H42P2Pd2 and a molecular weight of 821.59 g/mol. Its IUPAC name is bis(palladium);bis(tris(2-methylphenyl)phosphane).

Molecular Properties

Compound Namebis(palladium);bis(tris(2-methylphenyl)phosphane)
PubChem CID175817621
Molecular FormulaC42H42P2Pd2
Molecular Weight821.59 g/mol
Exact Mass820.08
IUPAC Namebis(palladium);bis(tris(2-methylphenyl)phosphane)
SMILESCc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd].[Pd]
InChIInChI=1S/2C21H21P.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h2*4-15H,1-3H3;;
InChIKeyWQVTZCQPTVKKGS-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dichloropalladium;tris(2-methylphenyl)phosphane
CID 13170117
dichloropalladium;bis(tris(2-methylphenyl)phosphane)
CID 10876480
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
2,2,2-trifluoroacetic acid;tris(2-methylphenyl)phosphane
CID 174418794
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol
CID 58722023
bis(2-methylphenyl)phosphinite
CID 135999862
CID 58850505
CID 58850505
(2-chloro-6-methylphenyl)-bis(2-methylphenyl)phosphane
CID 158348439
bis(2-methylphenyl)-[1,2,2-tris[bis(2-methylphenyl)phosphanyl]ethyl]phosphane
CID 91385138
CID 10959964
CID 10959964
(4-ethenylphenyl)-bis(2-methylphenyl)phosphane
CID 87621287

Frequently Asked Questions

What is the IUPAC name of bis(palladium);bis(tris(2-methylphenyl)phosphane)?
The IUPAC name of bis(palladium);bis(tris(2-methylphenyl)phosphane) (CID 175817621) is bis(palladium);bis(tris(2-methylphenyl)phosphane).
What is the SMILES notation for bis(palladium);bis(tris(2-methylphenyl)phosphane)?
The canonical SMILES for bis(palladium);bis(tris(2-methylphenyl)phosphane) is Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd].[Pd].
What is the InChIKey of bis(palladium);bis(tris(2-methylphenyl)phosphane)?
The InChIKey is WQVTZCQPTVKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21P.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;/h2*4-15H,1-3H3;;.
What are the key properties of bis(palladium);bis(tris(2-methylphenyl)phosphane)?
bis(palladium);bis(tris(2-methylphenyl)phosphane) has a molecular weight of 821.59 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(palladium);bis(tris(2-methylphenyl)phosphane) is sourced from PubChem (CID 175817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).