tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane

C37H42FNO3Si — CID 150361755

IUPACtert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
SMILESCOc1ccccc1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C37H42FNO3Si/c1-37(2,3)43(5,6)42-23-22-27-16-18-28(19-17-27)25-39-33-21-20-30(41-26-29-12-8-7-9-13-29)24-32(33)35(38)36(39)31-14-10-11-15-34(31)40-4/h7-21,24H,22-23,25-26H2,1-6H3
InChIKeyGVVWQBDGKCWKOD-UHFFFAOYSA-N
MW595.83 g/mol
LogP9.65
Rot. Bonds11

About tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane

tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane (PubChem CID 150361755) has the molecular formula C37H42FNO3Si and a molecular weight of 595.83 g/mol. Its IUPAC name is tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
PubChem CID150361755
Molecular FormulaC37H42FNO3Si
Molecular Weight595.83 g/mol
Exact Mass595.29
IUPAC Nametert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
SMILESCOc1ccccc1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C37H42FNO3Si/c1-37(2,3)43(5,6)42-23-22-27-16-18-28(19-17-27)25-39-33-21-20-30(41-26-29-12-8-7-9-13-29)24-32(33)35(38)36(39)31-14-10-11-15-34(31)40-4/h7-21,24H,22-23,25-26H2,1-6H3
InChIKeyGVVWQBDGKCWKOD-UHFFFAOYSA-N
XLogP9.65
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.83
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[[5-butoxy-3-fluoro-2-(2-methoxyphenyl)indol-1-yl]methyl]phenyl]ethyl]propan-1-amine
CID 155635089
2-[4-[[3-fluoro-2-(4-methoxy-2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanamine
CID 155265344
2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363
2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethanol
CID 155265382
methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate
CID 67650230
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[4-[[3-chloro-2-(4-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]-N-ethylethanamine
CID 139336520
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxyphenyl)indol-1-yl]methyl]phenyl]ethanol
CID 155635050
2-[4-[[5-butoxy-3-fluoro-2-(4-methoxy-2-methylphenyl)indol-1-yl]methyl]phenyl]-N-(2-fluoroethyl)ethanamine
CID 155635154
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
CID 66649907

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane (CID 150361755) is tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane is COc1ccccc1-c1c(F)c2cc(OCc3ccccc3)ccc2n1Cc1ccc(CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane?
The InChIKey is GVVWQBDGKCWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42FNO3Si/c1-37(2,3)43(5,6)42-23-22-27-16-18-28(19-17-27)25-39-33-21-20-30(41-26-29-12-8-7-9-13-29)24-32(33)35(38)36(39)31-14-10-11-15-34(31)40-4/h7-21,24H,22-23,25-26H2,1-6H3.
What are the key properties of tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane has a molecular weight of 595.83 g/mol, XLogP of 9.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 150361755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).