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'}

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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).