dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)

C26H35O2PPd+2 — CID 71494531

IUPACdicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
SMILESCOc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Pd+2]
InChIInChI=1S/C26H35O2P.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;/q;+2
InChIKeySUCMVABCFQLIMN-UHFFFAOYSA-N
MW516.96 g/mol
LogP7.14
Rot. Bonds6

About dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+) (PubChem CID 71494531) has the molecular formula C26H35O2PPd+2 and a molecular weight of 516.96 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+).

Molecular Properties

Compound Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
PubChem CID71494531
Molecular FormulaC26H35O2PPd+2
Molecular Weight516.96 g/mol
Exact Mass516.14
IUPAC Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
SMILESCOc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Pd+2]
InChIInChI=1S/C26H35O2P.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;/q;+2
InChIKeySUCMVABCFQLIMN-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.96
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;1,3-dimethoxy-2-(2-methylphenyl)benzene
CID 158459712
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonic acid
CID 11555318
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
CID 70881184
2,3-bis(2-dicyclohexylphosphanylphenyl)aniline
CID 87444825
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)?
The IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+) (CID 71494531) is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+).
What is the SMILES notation for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)?
The canonical SMILES for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+) is COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Pd+2].
What is the InChIKey of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)?
The InChIKey is SUCMVABCFQLIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O2P.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;/h9-11,16-21H,3-8,12-15H2,1-2H3;/q;+2.
What are the key properties of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)?
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+) has a molecular weight of 516.96 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+) is sourced from PubChem (CID 71494531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).