4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione

C23H22O2 — CID 14778512

IUPAC4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione
SMILESO=C1C2CCC3C1C(c1ccccc1)CC(=O)C3C2c1ccccc1
InChIInChI=1S/C23H22O2/c24-19-13-18(14-7-3-1-4-8-14)21-16-11-12-17(23(21)25)20(22(16)19)15-9-5-2-6-10-15/h1-10,16-18,20-22H,11-13H2
InChIKeyMQPPVFALTQYPLZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.37
Rot. Bonds2

About 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione

4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione (PubChem CID 14778512) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione.

Molecular Properties

Compound Name4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione
PubChem CID14778512
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione
SMILESO=C1C2CCC3C1C(c1ccccc1)CC(=O)C3C2c1ccccc1
InChIInChI=1S/C23H22O2/c24-19-13-18(14-7-3-1-4-8-14)21-16-11-12-17(23(21)25)20(22(16)19)15-9-5-2-6-10-15/h1-10,16-18,20-22H,11-13H2
InChIKeyMQPPVFALTQYPLZ-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11147997
(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one
CID 10566591
6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
CID 123952742
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
6,18-diphenylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosane-9,21-dione
CID 91570017
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(2R,3S,4S,5S)-2-methyl-3,5-diphenyl-4-propanoylcyclohexan-1-one
CID 102003889

Frequently Asked Questions

What is the IUPAC name of 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione?
The IUPAC name of 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione (CID 14778512) is 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione.
What is the SMILES notation for 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione?
The canonical SMILES for 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione is O=C1C2CCC3C1C(c1ccccc1)CC(=O)C3C2c1ccccc1.
What is the InChIKey of 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione?
The InChIKey is MQPPVFALTQYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c24-19-13-18(14-7-3-1-4-8-14)21-16-11-12-17(23(21)25)20(22(16)19)15-9-5-2-6-10-15/h1-10,16-18,20-22H,11-13H2.
What are the key properties of 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione?
4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione has a molecular weight of 330.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diphenyltricyclo[5.3.1.03,8]undecane-2,6-dione is sourced from PubChem (CID 14778512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).