tris(2,2,2-triphenylethanolate);yttrium(3+)

C60H51O3Y — CID 160643710

IUPACtris(2,2,2-triphenylethanolate);yttrium(3+)
SMILES[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3]
InChIInChI=1S/3C20H17O.Y/c3*21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/q3*-1;+3
InChIKeyRJMYVLBMKNNDQH-UHFFFAOYSA-N
MW908.97 g/mol
LogP10.14
Rot. Bonds12

About tris(2,2,2-triphenylethanolate);yttrium(3+)

tris(2,2,2-triphenylethanolate);yttrium(3+) (PubChem CID 160643710) has the molecular formula C60H51O3Y and a molecular weight of 908.97 g/mol. Its IUPAC name is tris(2,2,2-triphenylethanolate);yttrium(3+).

Molecular Properties

Compound Nametris(2,2,2-triphenylethanolate);yttrium(3+)
PubChem CID160643710
Molecular FormulaC60H51O3Y
Molecular Weight908.97 g/mol
Exact Mass908.29
IUPAC Nametris(2,2,2-triphenylethanolate);yttrium(3+)
SMILES[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3]
InChIInChI=1S/3C20H17O.Y/c3*21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/q3*-1;+3
InChIKeyRJMYVLBMKNNDQH-UHFFFAOYSA-N
XLogP10.14
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.97
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,2,2-triphenylethylsulfanium bromide
CID 172851267
2,2,2-triphenylethylphosphanium chloride
CID 21496958
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CID 3555789
3,3,3-triphenylpropan-1-amine
CID 10125450
CID 123237849
CID 123237849
CID 67365449
CID 67365449
3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
CID 173259273
CID 173259273
CID 173326560
CID 173326560
tritylazanium iodide
CID 88708906
4,4,4-triphenylbutane-1,1-diamine
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Frequently Asked Questions

What is the IUPAC name of tris(2,2,2-triphenylethanolate);yttrium(3+)?
The IUPAC name of tris(2,2,2-triphenylethanolate);yttrium(3+) (CID 160643710) is tris(2,2,2-triphenylethanolate);yttrium(3+).
What is the SMILES notation for tris(2,2,2-triphenylethanolate);yttrium(3+)?
The canonical SMILES for tris(2,2,2-triphenylethanolate);yttrium(3+) is [O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)(c1ccccc1)c1ccccc1.[Y+3].
What is the InChIKey of tris(2,2,2-triphenylethanolate);yttrium(3+)?
The InChIKey is RJMYVLBMKNNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H17O.Y/c3*21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/q3*-1;+3.
What are the key properties of tris(2,2,2-triphenylethanolate);yttrium(3+)?
tris(2,2,2-triphenylethanolate);yttrium(3+) has a molecular weight of 908.97 g/mol, XLogP of 10.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,2-triphenylethanolate);yttrium(3+) is sourced from PubChem (CID 160643710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).