9-bromo-10-hexylanthracene

C20H21Br — CID 141284839

IUPAC9-bromo-10-hexylanthracene
SMILESCCCCCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C20H21Br/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)20(21)19-14-9-7-12-17(15)19/h6-9,11-14H,2-5,10H2,1H3
InChIKeyIUHNORASSWXUOB-UHFFFAOYSA-N
MW341.29 g/mol
LogP6.88
Rot. Bonds5

About 9-bromo-10-hexylanthracene

9-bromo-10-hexylanthracene (PubChem CID 141284839) has the molecular formula C20H21Br and a molecular weight of 341.29 g/mol. Its IUPAC name is 9-bromo-10-hexylanthracene.

Molecular Properties

Compound Name9-bromo-10-hexylanthracene
PubChem CID141284839
Molecular FormulaC20H21Br
Molecular Weight341.29 g/mol
Exact Mass340.08
IUPAC Name9-bromo-10-hexylanthracene
SMILESCCCCCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C20H21Br/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)20(21)19-14-9-7-12-17(15)19/h6-9,11-14H,2-5,10H2,1H3
InChIKeyIUHNORASSWXUOB-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.29
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-dibutylanthracene
CID 605822
10-octylanthracen-9-amine
CID 87887624
9-butyl-10-methylanthracene
CID 22754688
2-(10-dodecylanthracen-9-yl)-5-[5-(10-dodecylanthracen-9-yl)thiophen-2-yl]thiophene
CID 88569472
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 23583607
9-bromo-10-(4-bromobutyl)phenanthrene
CID 10453092
3-dodecylnaphthalene-1,2,4-triol
CID 14672775
9,10-dibromo-2,6-didecylanthracene
CID 141357715
3-bromo-4-hexylquinoline
CID 134275854
1,2,3-trioctylnaphthalene
CID 20513034
3-bromo-2-heptyl-1-benzofuran
CID 11843101

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-hexylanthracene?
The IUPAC name of 9-bromo-10-hexylanthracene (CID 141284839) is 9-bromo-10-hexylanthracene.
What is the SMILES notation for 9-bromo-10-hexylanthracene?
The canonical SMILES for 9-bromo-10-hexylanthracene is CCCCCCc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-hexylanthracene?
The InChIKey is IUHNORASSWXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)20(21)19-14-9-7-12-17(15)19/h6-9,11-14H,2-5,10H2,1H3.
What are the key properties of 9-bromo-10-hexylanthracene?
9-bromo-10-hexylanthracene has a molecular weight of 341.29 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-hexylanthracene is sourced from PubChem (CID 141284839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).