(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one

C25H23NO — CID 13495526

IUPAC(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
SMILESCN(C)/C(=C\C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c1-26(2)24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22/h3-19H,1-2H3/b23-19-,24-18-
InChIKeyFVWGYMFJKBVKJD-VMHIYYNVSA-N
MW353.47 g/mol
LogP5.56
Rot. Bonds6

About (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one

(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one (PubChem CID 13495526) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
PubChem CID13495526
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
SMILESCN(C)/C(=C\C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c1-26(2)24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22/h3-19H,1-2H3/b23-19-,24-18-
InChIKeyFVWGYMFJKBVKJD-VMHIYYNVSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
CID 12734388
(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
CID 162340783
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one?
The IUPAC name of (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one (CID 13495526) is (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one is CN(C)/C(=C\C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one?
The InChIKey is FVWGYMFJKBVKJD-VMHIYYNVSA-N. The full InChI is InChI=1S/C25H23NO/c1-26(2)24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22/h3-19H,1-2H3/b23-19-,24-18-.
What are the key properties of (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one?
(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one has a molecular weight of 353.47 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one is sourced from PubChem (CID 13495526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).