(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one

C33H32N2O — CID 66673920

IUPAC(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
SMILESCN(C)c1ccccc1-c1ccc(/C=C/C(=O)/C=C/c2ccc(-c3ccccc3N(C)C)cc2)cc1
InChIInChI=1S/C33H32N2O/c1-34(2)32-11-7-5-9-30(32)27-19-13-25(14-20-27)17-23-29(36)24-18-26-15-21-28(22-16-26)31-10-6-8-12-33(31)35(3)4/h5-24H,1-4H3/b23-17+,24-18+
InChIKeyFOYSASLYGBESRY-GJHDBBOXSA-N
MW472.63 g/mol
LogP7.45
Rot. Bonds8

About (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one

(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one (PubChem CID 66673920) has the molecular formula C33H32N2O and a molecular weight of 472.63 g/mol. Its IUPAC name is (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
PubChem CID66673920
Molecular FormulaC33H32N2O
Molecular Weight472.63 g/mol
Exact Mass472.25
IUPAC Name(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
SMILESCN(C)c1ccccc1-c1ccc(/C=C/C(=O)/C=C/c2ccc(-c3ccccc3N(C)C)cc2)cc1
InChIInChI=1S/C33H32N2O/c1-34(2)32-11-7-5-9-30(32)27-19-13-25(14-20-27)17-23-29(36)24-18-26-15-21-28(22-16-26)31-10-6-8-12-33(31)35(3)4/h5-24H,1-4H3/b23-17+,24-18+
InChIKeyFOYSASLYGBESRY-GJHDBBOXSA-N
XLogP7.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[4-[(E)-2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethenyl]phenyl]aniline
CID 18990464
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
CID 82107346
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 52936922
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one (CID 66673920) is (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one is CN(C)c1ccccc1-c1ccc(/C=C/C(=O)/C=C/c2ccc(-c3ccccc3N(C)C)cc2)cc1.
What is the InChIKey of (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one?
The InChIKey is FOYSASLYGBESRY-GJHDBBOXSA-N. The full InChI is InChI=1S/C33H32N2O/c1-34(2)32-11-7-5-9-30(32)27-19-13-25(14-20-27)17-23-29(36)24-18-26-15-21-28(22-16-26)31-10-6-8-12-33(31)35(3)4/h5-24H,1-4H3/b23-17+,24-18+.
What are the key properties of (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one?
(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one has a molecular weight of 472.63 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 66673920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).