(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate

C26H16O5 — CID 5245721

IUPAC(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(=O)c(-c2ccccc2)c2c3c(cccc13)C(=O)O2
InChIInChI=1S/C26H16O5/c1-15(27)30-24-18-13-8-14-19-22(18)25(31-26(19)29)21(17-11-6-3-7-12-17)23(28)20(24)16-9-4-2-5-10-16/h2-14H,1H3
InChIKeyPOJAYXOOTKTJKU-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.99
Rot. Bonds3

About (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate

(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate (PubChem CID 5245721) has the molecular formula C26H16O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate.

Molecular Properties

Compound Name(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
PubChem CID5245721
Molecular FormulaC26H16O5
Molecular Weight408.41 g/mol
Exact Mass408.10
IUPAC Name(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)c(=O)c(-c2ccccc2)c2c3c(cccc13)C(=O)O2
InChIInChI=1S/C26H16O5/c1-15(27)30-24-18-13-8-14-19-22(18)25(31-26(19)29)21(17-11-6-3-7-12-17)23(28)20(24)16-9-4-2-5-10-16/h2-14H,1H3
InChIKeyPOJAYXOOTKTJKU-UHFFFAOYSA-N
XLogP4.99
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate with MolForge

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Launch Full Analysis

Related Compounds

(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
CID 15294322
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(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
(2-amino-3-phenyl-5-propan-2-yl-1-benzofuran-4-yl) acetate
CID 11197625
(11-acetyloxy-3,10-dioxoperylen-2-yl) acetate
CID 15933448
[2-acetyloxy-3-(3-acetyloxy-4-oxochromen-2-yl)phenyl] acetate
CID 134303208
24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione
CID 11825708
(2-chloro-3-phenylphenyl) acetate
CID 54501671
(6-bromo-4-oxo-2-phenylchromen-3-yl) acetate
CID 23792598
(4-methyl-2-oxo-3-phenylchromen-6-yl) acetate
CID 7198791
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
[4-(8-hydroxy-10-oxo-9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl] acetate
CID 91586743

Frequently Asked Questions

What is the IUPAC name of (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate?
The IUPAC name of (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate (CID 5245721) is (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate.
What is the SMILES notation for (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate?
The canonical SMILES for (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate is CC(=O)Oc1c(-c2ccccc2)c(=O)c(-c2ccccc2)c2c3c(cccc13)C(=O)O2.
What is the InChIKey of (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate?
The InChIKey is POJAYXOOTKTJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O5/c1-15(27)30-24-18-13-8-14-19-22(18)25(31-26(19)29)21(17-11-6-3-7-12-17)23(28)20(24)16-9-4-2-5-10-16/h2-14H,1H3.
What are the key properties of (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate?
(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate has a molecular weight of 408.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate is sourced from PubChem (CID 5245721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).