(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one

C23H16O — CID 101376278

IUPAC(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc2cccccc-2c1)c1ccc2cccc-2cc1
InChIInChI=1S/C23H16O/c24-23(20-12-10-18-7-4-8-19(18)11-13-20)14-9-17-15-21-5-2-1-3-6-22(21)16-17/h1-16H/b14-9+
InChIKeyJKOCCGKGRULUTA-NTEUORMPSA-N
MW308.38 g/mol
LogP5.79
Rot. Bonds3

About (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one

(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one (PubChem CID 101376278) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
PubChem CID101376278
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc2cccccc-2c1)c1ccc2cccc-2cc1
InChIInChI=1S/C23H16O/c24-23(20-12-10-18-7-4-8-19(18)11-13-20)14-9-17-15-21-5-2-1-3-6-22(21)16-17/h1-16H/b14-9+
InChIKeyJKOCCGKGRULUTA-NTEUORMPSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6124036
3,5-dibromobenzaldehyde;(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;1-(4-phenylphenyl)ethanone
CID 160690229
(E)-3-(3,5-dibromophenyl)-1-(4-phenylphenyl)prop-2-en-1-one;(Z)-pent-2-ene
CID 145297593
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4552324
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 6266711

Frequently Asked Questions

What is the IUPAC name of (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one?
The IUPAC name of (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one (CID 101376278) is (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one is O=C(/C=C/c1cc2cccccc-2c1)c1ccc2cccc-2cc1.
What is the InChIKey of (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one?
The InChIKey is JKOCCGKGRULUTA-NTEUORMPSA-N. The full InChI is InChI=1S/C23H16O/c24-23(20-12-10-18-7-4-8-19(18)11-13-20)14-9-17-15-21-5-2-1-3-6-22(21)16-17/h1-16H/b14-9+.
What are the key properties of (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one?
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one is sourced from PubChem (CID 101376278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).