6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

C36H42Cl2N2O6Si2 — CID 140933657

IUPAC6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(OCC[Si](C)(C)C)n4)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C36H42Cl2N2O6Si2/c1-47(2,3)19-17-43-35-25(21-41)13-15-31(39-35)45-23-27-9-7-11-29(33(27)37)30-12-8-10-28(34(30)38)24-46-32-16-14-26(22-42)36(40-32)44-18-20-48(4,5)6/h7-16,21-22H,17-20,23-24H2,1-6H3
InChIKeyAZCOVXLNDHEVPV-UHFFFAOYSA-N
MW725.82 g/mol
LogP9.67
Rot. Bonds17

About 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde

6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (PubChem CID 140933657) has the molecular formula C36H42Cl2N2O6Si2 and a molecular weight of 725.82 g/mol. Its IUPAC name is 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
PubChem CID140933657
Molecular FormulaC36H42Cl2N2O6Si2
Molecular Weight725.82 g/mol
Exact Mass724.20
IUPAC Name6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(OCC[Si](C)(C)C)n4)c3Cl)c2Cl)ccc1C=O
InChIInChI=1S/C36H42Cl2N2O6Si2/c1-47(2,3)19-17-43-35-25(21-41)13-15-31(39-35)45-23-27-9-7-11-29(33(27)37)30-12-8-10-28(34(30)38)24-46-32-16-14-26(22-42)36(40-32)44-18-20-48(4,5)6/h7-16,21-22H,17-20,23-24H2,1-6H3
InChIKeyAZCOVXLNDHEVPV-UHFFFAOYSA-N
XLogP9.67
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde with MolForge

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Related Compounds

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
6-[[3-[3-[[5-Formyl-6-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135361349
6-[[3-[2-Fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
6-[2-Chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 146198720
6-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde
CID 178141204
2-[(5-Formyl-6-methoxy-2-pyridinyl)oxymethyl]-6-[3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]benzonitrile
CID 134240614
6-[[3-[3-[(5-Formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 134305058
5-Chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135360706
5-Cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135360886
6-[[3-[3-[(5-Formyl-3-iodo-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-iodo-2-methoxypyridine-3-carbaldehyde
CID 135360932
2-Chloro-6-[[3-[3-[(6-chloro-5-formyl-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]pyridine-3-carbaldehyde
CID 135361241
5-chloro-6-[[(1S)-4-[(1S)-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361358

Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde (CID 140933657) is 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is C[Si](C)(C)CCOc1nc(OCc2cccc(-c3cccc(COc4ccc(C=O)c(OCC[Si](C)(C)C)n4)c3Cl)c2Cl)ccc1C=O.
What is the InChIKey of 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
The InChIKey is AZCOVXLNDHEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Cl2N2O6Si2/c1-47(2,3)19-17-43-35-25(21-41)13-15-31(39-35)45-23-27-9-7-11-29(33(27)37)30-12-8-10-28(34(30)38)24-46-32-16-14-26(22-42)36(40-32)44-18-20-48(4,5)6/h7-16,21-22H,17-20,23-24H2,1-6H3.
What are the key properties of 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde?
6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde has a molecular weight of 725.82 g/mol, XLogP of 9.67, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-3-[2-chloro-3-[[5-formyl-6-(2-trimethylsilylethoxy)-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-(2-trimethylsilylethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 140933657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).