2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

C21H15NO4 — CID 155667608

IUPAC2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESO=C1OCC2=C1C(c1ccccc1)C1=C(COC1=O)N2c1ccccc1
InChIInChI=1S/C21H15NO4/c23-20-18-15(11-25-20)22(14-9-5-2-6-10-14)16-12-26-21(24)19(16)17(18)13-7-3-1-4-8-13/h1-10,17H,11-12H2
InChIKeyLEYFVCUVCJAPLX-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.91
Rot. Bonds2

About 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (PubChem CID 155667608) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.

Molecular Properties

Compound Name2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
PubChem CID155667608
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESO=C1OCC2=C1C(c1ccccc1)C1=C(COC1=O)N2c1ccccc1
InChIInChI=1S/C21H15NO4/c23-20-18-15(11-25-20)22(14-9-5-2-6-10-14)16-12-26-21(24)19(16)17(18)13-7-3-1-4-8-13/h1-10,17H,11-12H2
InChIKeyLEYFVCUVCJAPLX-UHFFFAOYSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The IUPAC name of 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (CID 155667608) is 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.
What is the SMILES notation for 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The canonical SMILES for 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is O=C1OCC2=C1C(c1ccccc1)C1=C(COC1=O)N2c1ccccc1.
What is the InChIKey of 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The InChIKey is LEYFVCUVCJAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20-18-15(11-25-20)22(14-9-5-2-6-10-14)16-12-26-21(24)19(16)17(18)13-7-3-1-4-8-13/h1-10,17H,11-12H2.
What are the key properties of 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione has a molecular weight of 345.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenyl-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is sourced from PubChem (CID 155667608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).