bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol

C50H75EuF3O6P4 — CID 163740923

IUPACbis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)F.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/2C21H30O2P2.C8H15F3O2.Eu/c2*1-3-5-17-24(22,18-6-4-2)19-25(23,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-7(2,3)5(12)4-6(13)8(9,10)11;/h2*7-16H,3-6,17-19H2,1-2H3;5-6,12-13H,4H2,1-3H3;
InChIKeyYRUGUOSBFMYDHO-UHFFFAOYSA-N
MW1105.00 g/mol
LogP13.55
Rot. Bonds22

About bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol

bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol (PubChem CID 163740923) has the molecular formula C50H75EuF3O6P4 and a molecular weight of 1105.00 g/mol. Its IUPAC name is bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol.

Molecular Properties

Compound Namebis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
PubChem CID163740923
Molecular FormulaC50H75EuF3O6P4
Molecular Weight1105.00 g/mol
Exact Mass1105.37
IUPAC Namebis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
SMILESCC(C)(C)C(O)CC(O)C(F)(F)F.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/2C21H30O2P2.C8H15F3O2.Eu/c2*1-3-5-17-24(22,18-6-4-2)19-25(23,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-7(2,3)5(12)4-6(13)8(9,10)11;/h2*7-16H,3-6,17-19H2,1-2H3;5-6,12-13H,4H2,1-3H3;
InChIKeyYRUGUOSBFMYDHO-UHFFFAOYSA-N
XLogP13.55
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.00
LogP ≤ 513.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
CID 155644613
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
2-hydroxyhexan-2-yl(phenyl)phosphinate
CID 18991839
butyl(phenyl)phosphinate
CID 51386598
(2S,3R)-1-diphenylphosphoryl-3-phenylbutane-2,3-diol
CID 10522910
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
butyl-(2,2,2-trifluoro-1-phenylethoxy)phosphinate
CID 154047216
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1-dibutylphosphorylbutane;toluene
CID 175144849
benzoic acid;2,2-dimethylheptane-3,5-diol
CID 66896604
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378

Frequently Asked Questions

What is the IUPAC name of bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The IUPAC name of bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol (CID 163740923) is bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol.
What is the SMILES notation for bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The canonical SMILES for bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol is CC(C)(C)C(O)CC(O)C(F)(F)F.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.CCCCP(=O)(CCCC)CP(=O)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
The InChIKey is YRUGUOSBFMYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H30O2P2.C8H15F3O2.Eu/c2*1-3-5-17-24(22,18-6-4-2)19-25(23,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-7(2,3)5(12)4-6(13)8(9,10)11;/h2*7-16H,3-6,17-19H2,1-2H3;5-6,12-13H,4H2,1-3H3;.
What are the key properties of bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol?
bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol has a molecular weight of 1105.00 g/mol, XLogP of 13.55, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol is sourced from PubChem (CID 163740923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).