[6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C40H55NO4SSi2 — CID 10794840

About [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

[6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 10794840) has the molecular formula C40H55NO4SSi2 and a molecular weight of 702.12 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• PubChem CID: 10794840
• Molecular Formula: C40H55NO4SSi2
• Molecular Weight: 702.12 g/mol
• Exact Mass: 701.34
• IUPAC Name: [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(-c2sc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
• InChI: InChI=1S/C40H55NO4SSi2/c1-39(2,3)47(7,8)44-32-20-16-30(17-21-32)38-36(34-23-22-33(28-35(34)46-38)45-48(9,10)40(4,5)6)37(42)29-14-18-31(19-15-29)43-27-26-41-24-12-11-13-25-41/h14-23,28H,11-13,24-27H2,1-10H3
• InChIKey: DGJQFECSJNZUFT-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 48.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.12
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 10794840) is [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is CC(C)(C)[Si](C)(C)Oc1ccc(-c2sc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1.

What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The InChIKey is DGJQFECSJNZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55NO4SSi2/c1-39(2,3)47(7,8)44-32-20-16-30(17-21-32)38-36(34-23-22-33(28-35(34)46-38)45-48(9,10)40(4,5)6)37(42)29-14-18-31(19-15-29)43-27-26-41-24-12-11-13-25-41/h14-23,28H,11-13,24-27H2,1-10H3.

What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

[6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 702.12 g/mol, XLogP of 11.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 10794840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).