tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane

C42H57NO4Si2 — CID 19595113

About tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane

tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane (PubChem CID 19595113) has the molecular formula C42H57NO4Si2 and a molecular weight of 696.09 g/mol. Its IUPAC name is tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
• PubChem CID: 19595113
• Molecular Formula: C42H57NO4Si2
• Molecular Weight: 696.09 g/mol
• Exact Mass: 695.38
• IUPAC Name: tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O[Si](C)(C)C(C)(C)C)ccc12
• InChI: InChI=1S/C42H57NO4Si2/c1-41(2,3)48(7,8)46-33-19-22-35-31(28-33)16-21-37-36-23-20-34(47-49(9,10)42(4,5)6)29-38(36)45-40(39(35)37)30-14-17-32(18-15-30)44-27-26-43-24-12-11-13-25-43/h14-23,28-29,40H,11-13,24-27H2,1-10H3
• InChIKey: SFWSYYQYGXODSS-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.09
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane (CID 19595113) is tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O[Si](C)(C)C(C)(C)C)ccc12.

What is the InChIKey of tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane?

The InChIKey is SFWSYYQYGXODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H57NO4Si2/c1-41(2,3)48(7,8)46-33-19-22-35-31(28-33)16-21-37-36-23-20-34(47-49(9,10)42(4,5)6)29-38(36)45-40(39(35)37)30-14-17-32(18-15-30)44-27-26-43-24-12-11-13-25-43/h14-23,28-29,40H,11-13,24-27H2,1-10H3.

What are the key properties of tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane?

tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane has a molecular weight of 696.09 g/mol, XLogP of 11.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 19595113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).