9-(4-butan-2-ylphenyl)anthracene

C24H22 — CID 22974701

IUPAC9-(4-butan-2-ylphenyl)anthracene
SMILESCCC(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H22/c1-3-17(2)18-12-14-19(15-13-18)24-22-10-6-4-8-20(22)16-21-9-5-7-11-23(21)24/h4-17H,3H2,1-2H3
InChIKeyUEGBVFHJNONZTC-UHFFFAOYSA-N
MW310.44 g/mol
LogP7.17
Rot. Bonds3

About 9-(4-butan-2-ylphenyl)anthracene

9-(4-butan-2-ylphenyl)anthracene (PubChem CID 22974701) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 9-(4-butan-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-butan-2-ylphenyl)anthracene
PubChem CID22974701
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name9-(4-butan-2-ylphenyl)anthracene
SMILESCCC(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C24H22/c1-3-17(2)18-12-14-19(15-13-18)24-22-10-6-4-8-20(22)16-21-9-5-7-11-23(21)24/h4-17H,3H2,1-2H3
InChIKeyUEGBVFHJNONZTC-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(4-butan-2-ylphenyl)anthracene 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

9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
argon;[1-(6-butan-2-yl-2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 158582716
4-(4-anthracen-9-ylphenyl)butane-2-thiol
CID 57300743
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
CID 178128482
12-butan-2-ylbenzo[a]anthracene
CID 145179734
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597

Frequently Asked Questions

What is the IUPAC name of 9-(4-butan-2-ylphenyl)anthracene?
The IUPAC name of 9-(4-butan-2-ylphenyl)anthracene (CID 22974701) is 9-(4-butan-2-ylphenyl)anthracene.
What is the SMILES notation for 9-(4-butan-2-ylphenyl)anthracene?
The canonical SMILES for 9-(4-butan-2-ylphenyl)anthracene is CCC(C)c1ccc(-c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 9-(4-butan-2-ylphenyl)anthracene?
The InChIKey is UEGBVFHJNONZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-3-17(2)18-12-14-19(15-13-18)24-22-10-6-4-8-20(22)16-21-9-5-7-11-23(21)24/h4-17H,3H2,1-2H3.
What are the key properties of 9-(4-butan-2-ylphenyl)anthracene?
9-(4-butan-2-ylphenyl)anthracene has a molecular weight of 310.44 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-butan-2-ylphenyl)anthracene is sourced from PubChem (CID 22974701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).