9-(1-phenylbut-3-enyl)anthracene

C24H20 — CID 132849936

IUPAC9-(1-phenylbut-3-enyl)anthracene
SMILESC=CCC(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H20/c1-2-10-21(18-11-4-3-5-12-18)24-22-15-8-6-13-19(22)17-20-14-7-9-16-23(20)24/h2-9,11-17,21H,1,10H2
InChIKeyGSLLBNURDAONHW-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.70
Rot. Bonds4

About 9-(1-phenylbut-3-enyl)anthracene

9-(1-phenylbut-3-enyl)anthracene (PubChem CID 132849936) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 9-(1-phenylbut-3-enyl)anthracene.

Molecular Properties

Compound Name9-(1-phenylbut-3-enyl)anthracene
PubChem CID132849936
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name9-(1-phenylbut-3-enyl)anthracene
SMILESC=CCC(c1ccccc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H20/c1-2-10-21(18-11-4-3-5-12-18)24-22-15-8-6-13-19(22)17-20-14-7-9-16-23(20)24/h2-9,11-17,21H,1,10H2
InChIKeyGSLLBNURDAONHW-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-anthracen-9-yl-2-phenylethanol
CID 87369453
(1R)-1-anthracen-9-ylbut-3-en-1-amine;hydrochloride
CID 171197568
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
3-phenylhexa-1,5-dien-2-ol
CID 173444348
3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
CID 11380755
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
[anthracen-9-yl(phenyl)methyl]-triphenylphosphanium chloride
CID 71327082
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
9-(dichloromethyl)anthracene
CID 4281288
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
(1S)-1-anthracen-9-yl-2-fluoroethanamine
CID 171197554
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776

Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylbut-3-enyl)anthracene?
The IUPAC name of 9-(1-phenylbut-3-enyl)anthracene (CID 132849936) is 9-(1-phenylbut-3-enyl)anthracene.
What is the SMILES notation for 9-(1-phenylbut-3-enyl)anthracene?
The canonical SMILES for 9-(1-phenylbut-3-enyl)anthracene is C=CCC(c1ccccc1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(1-phenylbut-3-enyl)anthracene?
The InChIKey is GSLLBNURDAONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-2-10-21(18-11-4-3-5-12-18)24-22-15-8-6-13-19(22)17-20-14-7-9-16-23(20)24/h2-9,11-17,21H,1,10H2.
What are the key properties of 9-(1-phenylbut-3-enyl)anthracene?
9-(1-phenylbut-3-enyl)anthracene has a molecular weight of 308.42 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylbut-3-enyl)anthracene is sourced from PubChem (CID 132849936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).