bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane

C31H35NO2Si — CID 135070409

IUPACbis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane
SMILESCOc1ccc([C@H](Cc2ccccn2)O[Si](C)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C31H35NO2Si/c1-22-15-23(2)18-29(17-22)35(6,30-19-24(3)16-25(4)20-30)34-31(21-27-9-7-8-14-32-27)26-10-12-28(33-5)13-11-26/h7-20,31H,21H2,1-6H3/t31-/m0/s1
InChIKeyYWPWYEIJZYZMCQ-HKBQPEDESA-N
MW481.71 g/mol
LogP6.01
Rot. Bonds8

About bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane

bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane (PubChem CID 135070409) has the molecular formula C31H35NO2Si and a molecular weight of 481.71 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane
PubChem CID135070409
Molecular FormulaC31H35NO2Si
Molecular Weight481.71 g/mol
Exact Mass481.24
IUPAC Namebis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane
SMILESCOc1ccc([C@H](Cc2ccccn2)O[Si](C)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C31H35NO2Si/c1-22-15-23(2)18-29(17-22)35(6,30-19-24(3)16-25(4)20-30)34-31(21-27-9-7-8-14-32-27)26-10-12-28(33-5)13-11-26/h7-20,31H,21H2,1-6H3/t31-/m0/s1
InChIKeyYWPWYEIJZYZMCQ-HKBQPEDESA-N
XLogP6.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.71
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084085
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
2-[1-(4-methoxyphenyl)-2-phenylethoxy]pyridine
CID 175878061
2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 132915461
2-(3-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084082
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
1-(3,5-dimethylphenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 61028897
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 106680429
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane?
The IUPAC name of bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane (CID 135070409) is bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane?
The canonical SMILES for bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane is COc1ccc([C@H](Cc2ccccn2)O[Si](C)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane?
The InChIKey is YWPWYEIJZYZMCQ-HKBQPEDESA-N. The full InChI is InChI=1S/C31H35NO2Si/c1-22-15-23(2)18-29(17-22)35(6,30-19-24(3)16-25(4)20-30)34-31(21-27-9-7-8-14-32-27)26-10-12-28(33-5)13-11-26/h7-20,31H,21H2,1-6H3/t31-/m0/s1.
What are the key properties of bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane?
bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane has a molecular weight of 481.71 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-[(1S)-1-(4-methoxyphenyl)-2-pyridin-2-ylethoxy]-methylsilane is sourced from PubChem (CID 135070409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).