bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium

C41H36F6O4P2Tb — CID 155644613

IUPACbis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.OC(CC(O)C(F)(F)F)C(F)(F)F.[Tb]
InChIInChI=1S/2C18H15OP.C5H6F6O2.Tb/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-15H;2-3,12-13H,1H2;
InChIKeyZONLLLCAVRAAGI-UHFFFAOYSA-N
MW927.60 g/mol
LogP7.87
Rot. Bonds8

About bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium

bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium (PubChem CID 155644613) has the molecular formula C41H36F6O4P2Tb and a molecular weight of 927.60 g/mol. Its IUPAC name is bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium.

Molecular Properties

Compound Namebis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
PubChem CID155644613
Molecular FormulaC41H36F6O4P2Tb
Molecular Weight927.60 g/mol
Exact Mass927.12
IUPAC Namebis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.OC(CC(O)C(F)(F)F)C(F)(F)F.[Tb]
InChIInChI=1S/2C18H15OP.C5H6F6O2.Tb/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-15H;2-3,12-13H,1H2;
InChIKeyZONLLLCAVRAAGI-UHFFFAOYSA-N
XLogP7.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.60
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphorylbenzene;terbium
CID 86595283
2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene;europium;4,4,4-trifluoro-1-phenylbutane-1,3-diol
CID 59762603
bis([dibutylphosphorylmethyl(phenyl)phosphoryl]benzene);europium;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 163740923
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);zinc
CID 5231417
(4-diphenylphosphorylphenyl)-hydroxy-diphenylphosphanium
CID 88555951
2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
CID 2783809
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diphenylphosphorylbenzene;oxirene
CID 174881764
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983

Frequently Asked Questions

What is the IUPAC name of bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium?
The IUPAC name of bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium (CID 155644613) is bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium.
What is the SMILES notation for bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium?
The canonical SMILES for bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium is O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.OC(CC(O)C(F)(F)F)C(F)(F)F.[Tb].
What is the InChIKey of bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium?
The InChIKey is ZONLLLCAVRAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15OP.C5H6F6O2.Tb/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1-15H;2-3,12-13H,1H2;.
What are the key properties of bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium?
bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium has a molecular weight of 927.60 g/mol, XLogP of 7.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium is sourced from PubChem (CID 155644613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).