tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)

C192H240P4Pd2+4 — CID 175358759

IUPACtetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.[Pd].[Pd]
InChIInChI=1S/4C48H59P.2Pd/c4*1-30(2)36-26-42(32(5)6)46(43(27-36)33(7)8)40-24-19-25-41(47-44(34(9)10)28-37(31(3)4)29-45(47)35(11)12)48(40)49(38-20-15-13-16-21-38)39-22-17-14-18-23-39;;/h4*13-35H,1-12H3;;/p+4
InChIKeyVUULHWYLTIXENM-UHFFFAOYSA-R
MW2884.77 g/mol
LogP53.00
Rot. Bonds44

About tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)

tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium) (PubChem CID 175358759) has the molecular formula C192H240P4Pd2+4 and a molecular weight of 2884.77 g/mol. Its IUPAC name is tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium).

Molecular Properties

Compound Nametetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
PubChem CID175358759
Molecular FormulaC192H240P4Pd2+4
Molecular Weight2884.77 g/mol
Exact Mass2881.58
IUPAC Nametetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.[Pd].[Pd]
InChIInChI=1S/4C48H59P.2Pd/c4*1-30(2)36-26-42(32(5)6)46(43(27-36)33(7)8)40-24-19-25-41(47-44(34(9)10)28-37(31(3)4)29-45(47)35(11)12)48(40)49(38-20-15-13-16-21-38)39-22-17-14-18-23-39;;/h4*13-35H,1-12H3;;/p+4
InChIKeyVUULHWYLTIXENM-UHFFFAOYSA-R
XLogP53.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002884.77
LogP ≤ 553.00
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

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
acetic acid;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium
CID 139233880
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
CID 166443687
CID 166443687
[13-hydroxy-13-oxo-20-triphenylphosphaniumyl-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-6-yl]-triphenylphosphanium
CID 53360182
7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane
CID 101081088
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
palladium;tetrakis(triphenylphosphanium)
CID 54587875

Frequently Asked Questions

What is the IUPAC name of tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)?
The IUPAC name of tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium) (CID 175358759) is tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium).
What is the SMILES notation for tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)?
The canonical SMILES for tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium) is CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[PH+](c2ccccc2)c2ccccc2)c(C(C)C)c1.[Pd].[Pd].
What is the InChIKey of tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)?
The InChIKey is VUULHWYLTIXENM-UHFFFAOYSA-R. The full InChI is InChI=1S/4C48H59P.2Pd/c4*1-30(2)36-26-42(32(5)6)46(43(27-36)33(7)8)40-24-19-25-41(47-44(34(9)10)28-37(31(3)4)29-45(47)35(11)12)48(40)49(38-20-15-13-16-21-38)39-22-17-14-18-23-39;;/h4*13-35H,1-12H3;;/p+4.
What are the key properties of tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)?
tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium) has a molecular weight of 2884.77 g/mol, XLogP of 53.00, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium) is sourced from PubChem (CID 175358759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).