(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium

C39H34OP2Pd+2 — CID 155935452

IUPAC(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
SMILESCC1(C)c2cccc([PH+](c3ccccc3)c3ccccc3)c2Oc2c([PH+](c3ccccc3)c3ccccc3)cccc21.[Pd]
InChIInChI=1S/C39H32OP2.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;/p+2
InChIKeyMVQDWAOYLXFNAA-UHFFFAOYSA-P
MW687.07 g/mol
LogP7.10
Rot. Bonds6

About (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium

(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium (PubChem CID 155935452) has the molecular formula C39H34OP2Pd+2 and a molecular weight of 687.07 g/mol. Its IUPAC name is (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium.

Molecular Properties

Compound Name(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
PubChem CID155935452
Molecular FormulaC39H34OP2Pd+2
Molecular Weight687.07 g/mol
Exact Mass686.11
IUPAC Name(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium
SMILESCC1(C)c2cccc([PH+](c3ccccc3)c3ccccc3)c2Oc2c([PH+](c3ccccc3)c3ccccc3)cccc21.[Pd]
InChIInChI=1S/C39H32OP2.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;/p+2
InChIKeyMVQDWAOYLXFNAA-UHFFFAOYSA-P
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.07
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-diiodo-9,9-dimethylxanthene
CID 10813897
(5-diphenylphosphinoselenoyl-9,9-dimethylxanthen-4-yl)-diphenyl-selanylidene-λ5-phosphane
CID 66559430
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(gold(1+))
CID 164790371
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
bis(cyclopentyl(diphenyl)phosphanium);bis(ditert-butyl(phenyl)phosphanium);hexakis(dichloropalladium);bis(diphenylphosphane);diphenyl-(5,9,9-trimethylxanthen-4-yl)phosphanium;iron;methane;[2-(2-methylphenoxy)phenyl]-diphenylphosphanium;bis(tricyclohexylphosphanium);bis(triphenylphosphanium)
CID 162269062
[9,9-dimethyl-5-[(2-methylphenyl)-phenylphosphanyl]xanthen-4-yl]-(2-methylphenyl)-phenylphosphane
CID 168812261
5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
CID 118081432
(2-methoxyphenyl)-[5-[(2-methoxyphenyl)-phenylphosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 154724363
5-[(5-amino-9,9-dimethylxanthen-4-yl)diazenyl]-9,9-dimethylxanthen-4-amine
CID 11691431
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium?
The IUPAC name of (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium (CID 155935452) is (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium.
What is the SMILES notation for (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium?
The canonical SMILES for (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium is CC1(C)c2cccc([PH+](c3ccccc3)c3ccccc3)c2Oc2c([PH+](c3ccccc3)c3ccccc3)cccc21.[Pd].
What is the InChIKey of (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium?
The InChIKey is MVQDWAOYLXFNAA-UHFFFAOYSA-P. The full InChI is InChI=1S/C39H32OP2.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;/p+2.
What are the key properties of (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium?
(5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium has a molecular weight of 687.07 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphaniumyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium is sourced from PubChem (CID 155935452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).