tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane

C26H33NOSSi — CID 132570103

IUPACtert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane
SMILESCCc1nc2c(c(-c3cccs3)c1CC)C(O[Si](C)(C)C(C)(C)C)c1ccccc1-2
InChIInChI=1S/C26H33NOSSi/c1-8-17-20(9-2)27-24-18-13-10-11-14-19(18)25(28-30(6,7)26(3,4)5)23(24)22(17)21-15-12-16-29-21/h10-16,25H,8-9H2,1-7H3
InChIKeyDDSPCHYKLPVCMG-UHFFFAOYSA-N
MW435.71 g/mol
LogP8.03
Rot. Bonds5

About tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane

tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane (PubChem CID 132570103) has the molecular formula C26H33NOSSi and a molecular weight of 435.71 g/mol. Its IUPAC name is tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane
PubChem CID132570103
Molecular FormulaC26H33NOSSi
Molecular Weight435.71 g/mol
Exact Mass435.21
IUPAC Nametert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane
SMILESCCc1nc2c(c(-c3cccs3)c1CC)C(O[Si](C)(C)C(C)(C)C)c1ccccc1-2
InChIInChI=1S/C26H33NOSSi/c1-8-17-20(9-2)27-24-18-13-10-11-14-19(18)25(28-30(6,7)26(3,4)5)23(24)22(17)21-15-12-16-29-21/h10-16,25H,8-9H2,1-7H3
InChIKeyDDSPCHYKLPVCMG-UHFFFAOYSA-N
XLogP8.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.71
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane (CID 132570103) is tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane is CCc1nc2c(c(-c3cccs3)c1CC)C(O[Si](C)(C)C(C)(C)C)c1ccccc1-2.
What is the InChIKey of tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane?
The InChIKey is DDSPCHYKLPVCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NOSSi/c1-8-17-20(9-2)27-24-18-13-10-11-14-19(18)25(28-30(6,7)26(3,4)5)23(24)22(17)21-15-12-16-29-21/h10-16,25H,8-9H2,1-7H3.
What are the key properties of tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane?
tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane has a molecular weight of 435.71 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,3-diethyl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridin-5-yl)oxy]-dimethylsilane is sourced from PubChem (CID 132570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).