4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione

C22H12O5 — CID 12027710

IUPAC4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione
SMILESO=c1oc2cc(-c3ccccc3)oc(=O)c2c2oc(-c3ccccc3)cc12
InChIInChI=1S/C22H12O5/c23-21-15-11-16(13-7-3-1-4-8-13)25-20(15)19-18(27-21)12-17(26-22(19)24)14-9-5-2-6-10-14/h1-12H
InChIKeyGIQHARJRQHZDBH-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.83
Rot. Bonds2

About 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione

4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione (PubChem CID 12027710) has the molecular formula C22H12O5 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione.

Molecular Properties

Compound Name4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione
PubChem CID12027710
Molecular FormulaC22H12O5
Molecular Weight356.33 g/mol
Exact Mass356.07
IUPAC Name4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione
SMILESO=c1oc2cc(-c3ccccc3)oc(=O)c2c2oc(-c3ccccc3)cc12
InChIInChI=1S/C22H12O5/c23-21-15-11-16(13-7-3-1-4-8-13)25-20(15)19-18(27-21)12-17(26-22(19)24)14-9-5-2-6-10-14/h1-12H
InChIKeyGIQHARJRQHZDBH-UHFFFAOYSA-N
XLogP4.83
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylbenzo[g]isochromen-1-one
CID 10849789
3-phenylazuleno[1,2-c]pyran-1-one
CID 165369387
7-chloro-3-phenylisochromen-1-one
CID 62706099
2-phenylphenanthro[9,10-b]furan
CID 15629729
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
1-oxo-3-phenylisochromene-6-carboxylic acid
CID 17015150
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
6-methyl-3-phenyl-7H-pyrano[3,4-c]pyridine-1,8-dione
CID 24773442
2-phenylchromen-4-one
CID 90124083
14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
CID 102326334
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
CID 12720076

Frequently Asked Questions

What is the IUPAC name of 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione?
The IUPAC name of 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione (CID 12027710) is 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione.
What is the SMILES notation for 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione?
The canonical SMILES for 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione is O=c1oc2cc(-c3ccccc3)oc(=O)c2c2oc(-c3ccccc3)cc12.
What is the InChIKey of 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione?
The InChIKey is GIQHARJRQHZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O5/c23-21-15-11-16(13-7-3-1-4-8-13)25-20(15)19-18(27-21)12-17(26-22(19)24)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione?
4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione has a molecular weight of 356.33 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione is sourced from PubChem (CID 12027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).