[8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate

C70H76N2O11 — CID 161042461

About [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate

[8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate (PubChem CID 161042461) has the molecular formula C70H76N2O11 and a molecular weight of 1121.38 g/mol. Its IUPAC name is [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
• PubChem CID: 161042461
• Molecular Formula: C70H76N2O11
• Molecular Weight: 1121.38 g/mol
• Exact Mass: 1120.54
• IUPAC Name: [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2C(C)(c2cccc(OCCN3CCCCC3)c2)Oc2cc(Oc3ccc4c(c3)OC(C)(c3cccc(OCCN5CCCCC5)c3)C3=C4COc4cc(OC(=O)C(C)(C)C)ccc43)ccc21
• InChI: InChI=1S/C70H76N2O11/c1-67(2,3)65(73)80-51-23-27-55-59(39-51)77-43-57-53-25-21-49(41-61(53)82-69(7,63(55)57)45-17-15-19-47(37-45)75-35-33-71-29-11-9-12-30-71)79-50-22-26-54-58-44-78-60-40-52(81-66(74)68(4,5)6)24-28-56(60)64(58)70(8,83-62(54)42-50)46-18-16-20-48(38-46)76-36-34-72-31-13-10-14-32-72/h15-28,37-42H,9-14,29-36,43-44H2,1-8H3
• InChIKey: QMBCMBBLKGRNPS-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 123.69 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.38
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?

The IUPAC name of [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate (CID 161042461) is [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2C(C)(c2cccc(OCCN3CCCCC3)c2)Oc2cc(Oc3ccc4c(c3)OC(C)(c3cccc(OCCN5CCCCC5)c3)C3=C4COc4cc(OC(=O)C(C)(C)C)ccc43)ccc21.

What is the InChIKey of [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?

The InChIKey is QMBCMBBLKGRNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H76N2O11/c1-67(2,3)65(73)80-51-23-27-55-59(39-51)77-43-57-53-25-21-49(41-61(53)82-69(7,63(55)57)45-17-15-19-47(37-45)75-35-33-71-29-11-9-12-30-71)79-50-22-26-54-58-44-78-60-40-52(81-66(74)68(4,5)6)24-28-56(60)64(58)70(8,83-62(54)42-50)46-18-16-20-48(38-46)76-36-34-72-31-13-10-14-32-72/h15-28,37-42H,9-14,29-36,43-44H2,1-8H3.

What are the key properties of [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?

[8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate has a molecular weight of 1121.38 g/mol, XLogP of 14.33, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 161042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).