trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione

C21H18N2O6 — CID 644733

IUPAC—
SMILESO=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKeyBTXRSHKJNDFHGA-UHFFFAOYSA-N
MW394.38 g/mol
LogP1.68
Rot. Bonds

About trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione

trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione (PubChem CID 644733) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol.

Molecular Properties

Compound Nametrispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
PubChem CID644733
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name—
SMILESO=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKeyBTXRSHKJNDFHGA-UHFFFAOYSA-N
XLogP1.68
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The IUPAC name of trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione (CID 644733) is not available.
What is the SMILES notation for trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The canonical SMILES for trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione is O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12.
What is the InChIKey of trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The InChIKey is BTXRSHKJNDFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25).
What are the key properties of trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione has a molecular weight of 394.38 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione is sourced from PubChem (CID 644733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).