tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane

C55H56F3NO2Si — CID 86341895

IUPACtert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)c(-c3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C55H56F3NO2Si/c1-36(61-62(9,10)54(5,6)7)37-16-18-39(19-17-37)48-50(40-20-26-44(27-21-40)53(2,3)4)51(42-24-30-46(60-8)31-25-42)47(38-14-12-11-13-15-38)49(52(48)43-32-34-59-35-33-43)41-22-28-45(29-23-41)55(56,57)58/h11-36H,1-10H3
InChIKeyWHMWDFMXWIFNON-UHFFFAOYSA-N
MW848.14 g/mol
LogP16.49
Rot. Bonds10

About tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane

tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane (PubChem CID 86341895) has the molecular formula C55H56F3NO2Si and a molecular weight of 848.14 g/mol. Its IUPAC name is tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane
PubChem CID86341895
Molecular FormulaC55H56F3NO2Si
Molecular Weight848.14 g/mol
Exact Mass847.40
IUPAC Nametert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)c(-c3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C55H56F3NO2Si/c1-36(61-62(9,10)54(5,6)7)37-16-18-39(19-17-37)48-50(40-20-26-44(27-21-40)53(2,3)4)51(42-24-30-46(60-8)31-25-42)47(38-14-12-11-13-15-38)49(52(48)43-32-34-59-35-33-43)41-22-28-45(29-23-41)55(56,57)58/h11-36H,1-10H3
InChIKeyWHMWDFMXWIFNON-UHFFFAOYSA-N
XLogP16.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.14
LogP ≤ 516.49
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

3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
4-(Methoxymethyl)-3-(6-methoxynaphthalen-2-yl)pyridine
CID 25034492
3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyridine
CID 25129120
4-[4-(1,2,3,6-Tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
CID 44527385
4-[(3''-Fluoro-4''-methoxybiphenyl-4-yl)methyl]pyridine
CID 46901617
4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride
CID 25033655
3-[7-Methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129121
(3-Pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 25129467

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane (CID 86341895) is tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane is COc1ccc(-c2c(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3)c(-c3ccc(C(C)O[Si](C)(C)C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane?
The InChIKey is WHMWDFMXWIFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56F3NO2Si/c1-36(61-62(9,10)54(5,6)7)37-16-18-39(19-17-37)48-50(40-20-26-44(27-21-40)53(2,3)4)51(42-24-30-46(60-8)31-25-42)47(38-14-12-11-13-15-38)49(52(48)43-32-34-59-35-33-43)41-22-28-45(29-23-41)55(56,57)58/h11-36H,1-10H3.
What are the key properties of tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane?
tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane has a molecular weight of 848.14 g/mol, XLogP of 16.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-[2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-phenyl-6-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]phenyl]phenyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 86341895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).