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

C33H32N2O — CID 66673921

IUPAC1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
SMILESCN(C)c1ccc(C=C(C(=O)C(=Cc2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H32N2O/c1-34(2)29-19-15-25(16-20-29)23-31(27-11-7-5-8-12-27)33(36)32(28-13-9-6-10-14-28)24-26-17-21-30(22-18-26)35(3)4/h5-24H,1-4H3
InChIKeyPEPPWTSJNYVLAU-UHFFFAOYSA-N
MW472.63 g/mol
LogP7.17
Rot. Bonds8

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

1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one (PubChem CID 66673921) has the molecular formula C33H32N2O and a molecular weight of 472.63 g/mol. Its IUPAC name is 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
PubChem CID66673921
Molecular FormulaC33H32N2O
Molecular Weight472.63 g/mol
Exact Mass472.25
IUPAC Name1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
SMILESCN(C)c1ccc(C=C(C(=O)C(=Cc2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H32N2O/c1-34(2)29-19-15-25(16-20-29)23-31(27-11-7-5-8-12-27)33(36)32(28-13-9-6-10-14-28)24-26-17-21-30(22-18-26)35(3)4/h5-24H,1-4H3
InChIKeyPEPPWTSJNYVLAU-UHFFFAOYSA-N
XLogP7.17
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 ≤ 57.17
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
(E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
CID 5388631
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016803
(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016802
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101071138
2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 141027031
ethyl (E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 5388469
N-[1-[4-(dimethylamino)phenyl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 3093528
2-[[4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]phenyl]methylidene]propanedinitrile
CID 118474785

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one?
The IUPAC name of 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one (CID 66673921) is 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one is CN(C)c1ccc(C=C(C(=O)C(=Cc2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one?
The InChIKey is PEPPWTSJNYVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O/c1-34(2)29-19-15-25(16-20-29)23-31(27-11-7-5-8-12-27)33(36)32(28-13-9-6-10-14-28)24-26-17-21-30(22-18-26)35(3)4/h5-24H,1-4H3.
What are the key properties of 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one?
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one has a molecular weight of 472.63 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one is sourced from PubChem (CID 66673921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).