2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane

C36H44N2O3Si — CID 175959307

IUPAC2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC1CN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)C1
InChIInChI=1S/C36H44N2O3Si/c1-36(2,3)42(4,5)41-22-21-30-24-38(25-30)32-18-12-17-31(23-32)33-19-20-34(39-26-28-13-8-6-9-14-28)37-35(33)40-27-29-15-10-7-11-16-29/h6-20,23,30H,21-22,24-27H2,1-5H3
InChIKeyXQKBCKRNAMKLKN-UHFFFAOYSA-N
MW580.85 g/mol
LogP8.75
Rot. Bonds12

About 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane

2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 175959307) has the molecular formula C36H44N2O3Si and a molecular weight of 580.85 g/mol. Its IUPAC name is 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID175959307
Molecular FormulaC36H44N2O3Si
Molecular Weight580.85 g/mol
Exact Mass580.31
IUPAC Name2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC1CN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)C1
InChIInChI=1S/C36H44N2O3Si/c1-36(2,3)42(4,5)41-22-21-30-24-38(25-30)32-18-12-17-31(23-32)33-19-20-34(39-26-28-13-8-6-9-14-28)37-35(33)40-27-29-15-10-7-11-16-29/h6-20,23,30H,21-22,24-27H2,1-5H3
InChIKeyXQKBCKRNAMKLKN-UHFFFAOYSA-N
XLogP8.75
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.85
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane (CID 175959307) is 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC1CN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)C1.
What is the InChIKey of 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is XQKBCKRNAMKLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O3Si/c1-36(2,3)42(4,5)41-22-21-30-24-38(25-30)32-18-12-17-31(23-32)33-19-20-34(39-26-28-13-8-6-9-14-28)37-35(33)40-27-29-15-10-7-11-16-29/h6-20,23,30H,21-22,24-27H2,1-5H3.
What are the key properties of 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane?
2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 580.85 g/mol, XLogP of 8.75, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175959307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).