1,11-diphenylundeca-1,3,8,10-tetraen-6-one

C23H22O — CID 76545225

IUPAC1,11-diphenylundeca-1,3,8,10-tetraen-6-one
SMILESO=C(CC=CC=Cc1ccccc1)CC=CC=Cc1ccccc1
InChIInChI=1S/C23H22O/c24-23(19-11-3-9-17-21-13-5-1-6-14-21)20-12-4-10-18-22-15-7-2-8-16-22/h1-18H,19-20H2
InChIKeyXKMCKGNNFURXSM-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.87
Rot. Bonds8

About 1,11-diphenylundeca-1,3,8,10-tetraen-6-one

1,11-diphenylundeca-1,3,8,10-tetraen-6-one (PubChem CID 76545225) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,11-diphenylundeca-1,3,8,10-tetraen-6-one.

Molecular Properties

Compound Name1,11-diphenylundeca-1,3,8,10-tetraen-6-one
PubChem CID76545225
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1,11-diphenylundeca-1,3,8,10-tetraen-6-one
SMILESO=C(CC=CC=Cc1ccccc1)CC=CC=Cc1ccccc1
InChIInChI=1S/C23H22O/c24-23(19-11-3-9-17-21-13-5-1-6-14-21)20-12-4-10-18-22-15-7-2-8-16-22/h1-18H,19-20H2
InChIKeyXKMCKGNNFURXSM-UHFFFAOYSA-N
XLogP5.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 134982496
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
(5E,7E)-8-phenylocta-1,5,7-trien-4-one
CID 100937640
carbonic acid;hexa-1,3,5-trienylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1,11-diphenylundeca-1,3,8,10-tetraen-6-one?
The IUPAC name of 1,11-diphenylundeca-1,3,8,10-tetraen-6-one (CID 76545225) is 1,11-diphenylundeca-1,3,8,10-tetraen-6-one.
What is the SMILES notation for 1,11-diphenylundeca-1,3,8,10-tetraen-6-one?
The canonical SMILES for 1,11-diphenylundeca-1,3,8,10-tetraen-6-one is O=C(CC=CC=Cc1ccccc1)CC=CC=Cc1ccccc1.
What is the InChIKey of 1,11-diphenylundeca-1,3,8,10-tetraen-6-one?
The InChIKey is XKMCKGNNFURXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c24-23(19-11-3-9-17-21-13-5-1-6-14-21)20-12-4-10-18-22-15-7-2-8-16-22/h1-18H,19-20H2.
What are the key properties of 1,11-diphenylundeca-1,3,8,10-tetraen-6-one?
1,11-diphenylundeca-1,3,8,10-tetraen-6-one has a molecular weight of 314.43 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-diphenylundeca-1,3,8,10-tetraen-6-one is sourced from PubChem (CID 76545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).