1,3,5-triphenylhexa-2,4-dien-1-one

C24H20O — CID 628086

IUPAC1,3,5-triphenylhexa-2,4-dien-1-one
SMILESCC(=CC(=CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c1-19(20-11-5-2-6-12-20)17-23(21-13-7-3-8-14-21)18-24(25)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyWDSOTYDUTUFIBE-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.06
Rot. Bonds5

About 1,3,5-triphenylhexa-2,4-dien-1-one

1,3,5-triphenylhexa-2,4-dien-1-one (PubChem CID 628086) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 1,3,5-triphenylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name1,3,5-triphenylhexa-2,4-dien-1-one
PubChem CID628086
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name1,3,5-triphenylhexa-2,4-dien-1-one
SMILESCC(=CC(=CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c1-19(20-11-5-2-6-12-20)17-23(21-13-7-3-8-14-21)18-24(25)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyWDSOTYDUTUFIBE-UHFFFAOYSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-phenylpent-3-en-2-one
CID 594380
(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
CID 13495526
(Z)-1,3-bis(4-phenylsulfanylphenyl)but-2-en-1-one
CID 6477018
[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
CID 126595609
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
3-phenylbut-2-enoate
CID 6995278
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
(2E,4Z)-5-anilino-1,3,5-triphenylpenta-2,4-dien-1-one
CID 162340783
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072
carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium
CID 135473696

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylhexa-2,4-dien-1-one?
The IUPAC name of 1,3,5-triphenylhexa-2,4-dien-1-one (CID 628086) is 1,3,5-triphenylhexa-2,4-dien-1-one.
What is the SMILES notation for 1,3,5-triphenylhexa-2,4-dien-1-one?
The canonical SMILES for 1,3,5-triphenylhexa-2,4-dien-1-one is CC(=CC(=CC(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,5-triphenylhexa-2,4-dien-1-one?
The InChIKey is WDSOTYDUTUFIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-19(20-11-5-2-6-12-20)17-23(21-13-7-3-8-14-21)18-24(25)22-15-9-4-10-16-22/h2-18H,1H3.
What are the key properties of 1,3,5-triphenylhexa-2,4-dien-1-one?
1,3,5-triphenylhexa-2,4-dien-1-one has a molecular weight of 324.42 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylhexa-2,4-dien-1-one is sourced from PubChem (CID 628086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).