bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)

C49H67N2O4Si2Y — CID 139110103

IUPACbis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)
SMILESC1CCOC1.CCOCC.C[SiH](C)[N-][SiH](C)C.Cc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3[O-])n2)c([O-])c(C(C)(C)c2ccccc2)c1.[Y+3]
InChIInChI=1S/C37H37NO2.C4H14NSi2.C4H8O.C4H10O.Y/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27;1-6(2)5-7(3)4;1-2-4-5-3-1;1-3-5-4-2;/h7-23,39-40H,1-6H3;6-7H,1-4H3;1-4H2;3-4H2,1-2H3;/q;-1;;;+3/p-2
InChIKeyTTYPUEIICHFLPG-UHFFFAOYSA-L
MW893.16 g/mol
LogP11.00
Rot. Bonds10

About bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)

bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+) (PubChem CID 139110103) has the molecular formula C49H67N2O4Si2Y and a molecular weight of 893.16 g/mol. Its IUPAC name is bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+).

Molecular Properties

Compound Namebis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)
PubChem CID139110103
Molecular FormulaC49H67N2O4Si2Y
Molecular Weight893.16 g/mol
Exact Mass892.37
IUPAC Namebis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)
SMILESC1CCOC1.CCOCC.C[SiH](C)[N-][SiH](C)C.Cc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3[O-])n2)c([O-])c(C(C)(C)c2ccccc2)c1.[Y+3]
InChIInChI=1S/C37H37NO2.C4H14NSi2.C4H8O.C4H10O.Y/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27;1-6(2)5-7(3)4;1-2-4-5-3-1;1-3-5-4-2;/h7-23,39-40H,1-6H3;6-7H,1-4H3;1-4H2;3-4H2,1-2H3;/q;-1;;;+3/p-2
InChIKeyTTYPUEIICHFLPG-UHFFFAOYSA-L
XLogP11.00
TPSA91.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.16
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)?
The IUPAC name of bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+) (CID 139110103) is bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+).
What is the SMILES notation for bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)?
The canonical SMILES for bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+) is C1CCOC1.CCOCC.C[SiH](C)[N-][SiH](C)C.Cc1cc(-c2cccc(-c3cc(C)cc(C(C)(C)c4ccccc4)c3[O-])n2)c([O-])c(C(C)(C)c2ccccc2)c1.[Y+3].
What is the InChIKey of bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)?
The InChIKey is TTYPUEIICHFLPG-UHFFFAOYSA-L. The full InChI is InChI=1S/C37H37NO2.C4H14NSi2.C4H8O.C4H10O.Y/c1-24-20-28(34(39)30(22-24)36(3,4)26-14-9-7-10-15-26)32-18-13-19-33(38-32)29-21-25(2)23-31(35(29)40)37(5,6)27-16-11-8-12-17-27;1-6(2)5-7(3)4;1-2-4-5-3-1;1-3-5-4-2;/h7-23,39-40H,1-6H3;6-7H,1-4H3;1-4H2;3-4H2,1-2H3;/q;-1;;;+3/p-2.
What are the key properties of bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+)?
bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+) has a molecular weight of 893.16 g/mol, XLogP of 11.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilyl)azanide;ethoxyethane;4-methyl-2-[6-[5-methyl-2-oxido-3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-6-(2-phenylpropan-2-yl)phenolate;oxolane;yttrium(3+) is sourced from PubChem (CID 139110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).