(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione

C25H23NO2 — CID 177497438

IUPAC(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
SMILESCN(C)c1ccc(/C(=C/C(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-26(2)23-15-13-19(14-16-23)22(17-24(27)20-9-5-3-6-10-20)18-25(28)21-11-7-4-8-12-21/h3-17H,18H2,1-2H3/b22-17+
InChIKeyDCNYSJGSAFYITO-OQKWZONESA-N
MW369.46 g/mol
LogP5.29
Rot. Bonds7

About (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione

(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione (PubChem CID 177497438) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
PubChem CID177497438
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
SMILESCN(C)c1ccc(/C(=C/C(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-26(2)23-15-13-19(14-16-23)22(17-24(27)20-9-5-3-6-10-20)18-25(28)21-11-7-4-8-12-21/h3-17H,18H2,1-2H3/b22-17+
InChIKeyDCNYSJGSAFYITO-OQKWZONESA-N
XLogP5.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
3-acetyl-1-[4-(dimethylamino)phenyl]pent-2-ene-1,4-dione
CID 13295314
4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 3796469
(E)-3-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(2-hydroxyethyl)amino]phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177399996
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
4-[4-(dimethylamino)phenyl]-2,4-dioxobutanoic acid
CID 23090325
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
4-(dimethylamino)-N-phenacyl-N-phenylbenzamide
CID 5073798
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione (CID 177497438) is (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione is CN(C)c1ccc(/C(=C/C(=O)c2ccccc2)CC(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione?
The InChIKey is DCNYSJGSAFYITO-OQKWZONESA-N. The full InChI is InChI=1S/C25H23NO2/c1-26(2)23-15-13-19(14-16-23)22(17-24(27)20-9-5-3-6-10-20)18-25(28)21-11-7-4-8-12-21/h3-17H,18H2,1-2H3/b22-17+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione?
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione has a molecular weight of 369.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione is sourced from PubChem (CID 177497438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).