2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]

C38H40N2O6 — CID 126615412

About 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]

2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine] (PubChem CID 126615412) has the molecular formula C38H40N2O6 and a molecular weight of 620.75 g/mol. Its IUPAC name is 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine].

Molecular Properties

• Compound Name: 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]
• PubChem CID: 126615412
• Molecular Formula: C38H40N2O6
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.29
• IUPAC Name: 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]
• SMILES: COc1ccc2c(c1)C1(OCC(CN3c4ccccc4C4(OCC(C)(C)CO4)c4cc(OC)ccc43)CO1)c1ccccc1N2C
• InChI: InChI=1S/C38H40N2O6/c1-36(2)23-45-38(46-24-36)29-11-7-9-13-34(29)40(35-17-15-27(42-5)19-31(35)38)20-25-21-43-37(44-22-25)28-10-6-8-12-32(28)39(3)33-16-14-26(41-4)18-30(33)37/h6-19,25H,20-24H2,1-5H3
• InChIKey: NPXXYAWEHIHAEY-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.75
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]?

The IUPAC name of 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine] (CID 126615412) is 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine].

What is the SMILES notation for 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]?

The canonical SMILES for 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine] is COc1ccc2c(c1)C1(OCC(CN3c4ccccc4C4(OCC(C)(C)CO4)c4cc(OC)ccc43)CO1)c1ccccc1N2C.

What is the InChIKey of 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]?

The InChIKey is NPXXYAWEHIHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O6/c1-36(2)23-45-38(46-24-36)29-11-7-9-13-34(29)40(35-17-15-27(42-5)19-31(35)38)20-25-21-43-37(44-22-25)28-10-6-8-12-32(28)39(3)33-16-14-26(41-4)18-30(33)37/h6-19,25H,20-24H2,1-5H3.

What are the key properties of 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine]?

2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine] has a molecular weight of 620.75 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-methoxy-10'-[(2'-methoxy-10'-methylspiro[1,3-dioxane-2,9'-acridine]-5-yl)methyl]-5,5-dimethylspiro[1,3-dioxane-2,9'-acridine] is sourced from PubChem (CID 126615412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).