(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one

C25H23NO — CID 23265611

IUPAC(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one
SMILESCN(C)c1ccc(/C=C2\CC(c3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H23NO/c1-26(2)21-14-12-18(13-15-21)16-20-17-24(19-8-4-3-5-9-19)22-10-6-7-11-23(22)25(20)27/h3-16,24H,17H2,1-2H3/b20-16+
InChIKeyLLKOFWLQWWDTMQ-CAPFRKAQSA-N
MW353.47 g/mol
LogP5.55
Rot. Bonds3

About (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one (PubChem CID 23265611) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one
PubChem CID23265611
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one
SMILESCN(C)c1ccc(/C=C2\CC(c3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H23NO/c1-26(2)21-14-12-18(13-15-21)16-20-17-24(19-8-4-3-5-9-19)22-10-6-7-11-23(22)25(20)27/h3-16,24H,17H2,1-2H3/b20-16+
InChIKeyLLKOFWLQWWDTMQ-CAPFRKAQSA-N
XLogP5.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
1-benzyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one
CID 54125661
(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one
CID 67426543
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
(6E)-6-[(4-chlorophenyl)methylidene]tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-one
CID 23267733
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
CID 45281164
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 4586381
(2E,3S)-2-[(4-methylphenyl)methylidene]-3-phenyl-3H-inden-1-one
CID 1472122
4-[(E)-3H-isoquinolin-4-ylidenemethyl]-N,N-dimethylaniline
CID 151709463
(2E,6E)-2,6-bis(dimethylaminomethylidene)-4-phenylcyclohexan-1-one
CID 11196878

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one (CID 23265611) is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one is CN(C)c1ccc(/C=C2\CC(c3ccccc3)c3ccccc3C2=O)cc1.
What is the InChIKey of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one?
The InChIKey is LLKOFWLQWWDTMQ-CAPFRKAQSA-N. The full InChI is InChI=1S/C25H23NO/c1-26(2)21-14-12-18(13-15-21)16-20-17-24(19-8-4-3-5-9-19)22-10-6-7-11-23(22)25(20)27/h3-16,24H,17H2,1-2H3/b20-16+.
What are the key properties of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one?
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one has a molecular weight of 353.47 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4-phenyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 23265611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).