(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione

C26H22O3 — CID 101391492

IUPAC(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione
SMILESO=C1OC(=O)C2CC3=C(/C=C(/c4ccccc4)CC/C(c4ccccc4)=C\3)CC12
InChIInChI=1S/C26H22O3/c27-25-23-15-21-13-19(17-7-3-1-4-8-17)11-12-20(18-9-5-2-6-10-18)14-22(21)16-24(23)26(28)29-25/h1-10,13-14,23-24H,11-12,15-16H2/b19-13+,20-14+
InChIKeyGCFYTJCUHXQPMU-IWGRKNQJSA-N
MW382.46 g/mol
LogP5.35
Rot. Bonds2

About (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione

(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione (PubChem CID 101391492) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione.

Molecular Properties

Compound Name(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione
PubChem CID101391492
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione
SMILESO=C1OC(=O)C2CC3=C(/C=C(/c4ccccc4)CC/C(c4ccccc4)=C\3)CC12
InChIInChI=1S/C26H22O3/c27-25-23-15-21-13-19(17-7-3-1-4-8-17)11-12-20(18-9-5-2-6-10-18)14-22(21)16-24(23)26(28)29-25/h1-10,13-14,23-24H,11-12,15-16H2/b19-13+,20-14+
InChIKeyGCFYTJCUHXQPMU-IWGRKNQJSA-N
XLogP5.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione with MolForge

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Related Compounds

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CID 160620159
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CID 101030634
3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
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(3R)-3-(4-phenylphenyl)oxane-2,6-dione
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(3aR,7aR)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 98042897
2-[(1S)-2-oxo-4-phenylcyclohex-3-en-1-yl]acetic acid
CID 92979676
3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
CID 11095650
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
4-phenylcyclohexa-1,3-diene-1,2-diol
CID 22149773
(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one
CID 134847630
(3aS,4S,9aR)-4-phenyl-3a,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1,3-dione
CID 101045101

Frequently Asked Questions

What is the IUPAC name of (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione?
The IUPAC name of (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione (CID 101391492) is (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione.
What is the SMILES notation for (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione?
The canonical SMILES for (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione is O=C1OC(=O)C2CC3=C(/C=C(/c4ccccc4)CC/C(c4ccccc4)=C\3)CC12.
What is the InChIKey of (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione?
The InChIKey is GCFYTJCUHXQPMU-IWGRKNQJSA-N. The full InChI is InChI=1S/C26H22O3/c27-25-23-15-21-13-19(17-7-3-1-4-8-17)11-12-20(18-9-5-2-6-10-18)14-22(21)16-24(23)26(28)29-25/h1-10,13-14,23-24H,11-12,15-16H2/b19-13+,20-14+.
What are the key properties of (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione?
(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione has a molecular weight of 382.46 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione is sourced from PubChem (CID 101391492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).