9,10-dibutylanthracene

C22H26 — CID 605822

IUPAC9,10-dibutylanthracene
SMILESCCCCc1c2ccccc2c(CCCC)c2ccccc12
InChIInChI=1S/C22H26/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyXLTRLRBXMJBVPL-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.68
Rot. Bonds6

About 9,10-dibutylanthracene

9,10-dibutylanthracene (PubChem CID 605822) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 9,10-dibutylanthracene.

Molecular Properties

Compound Name9,10-dibutylanthracene
PubChem CID605822
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name9,10-dibutylanthracene
SMILESCCCCc1c2ccccc2c(CCCC)c2ccccc12
InChIInChI=1S/C22H26/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-16H,3-6,11-12H2,1-2H3
InChIKeyXLTRLRBXMJBVPL-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-butyl-10-methylanthracene
CID 22754688
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
6,11-dibutyl-1,2,3,4-tetraethyltetracene
CID 58766221
9-bromo-10-hexylanthracene
CID 141284839
9-butylacridine
CID 606127
10-octylanthracen-9-amine
CID 87887624
CID 90280951
CID 90280951
ethane;9-methyl-10-propylanthracene
CID 144649779
3,4-dibutyl-1-methylisoquinoline
CID 71619287
69,70,71,72-tetrabutyltridecacyclo[63.3.1.114,18.131,35.148,52.05,68.010,15.017,22.027,32.034,39.044,49.051,56.061,66]doheptaconta-1(69),2,4,10(15),11,13,16,18(72),19,21,27,29,31(71),32,34(39),35,37,44,46,48(70),49,51(56),52,54,61(66),62,64,67-octacosaen-6,8,23,25,40,42,57,59-octayne
CID 101355531
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
1,2,3,4-tetrabutylpentacene
CID 22061721

Frequently Asked Questions

What is the IUPAC name of 9,10-dibutylanthracene?
The IUPAC name of 9,10-dibutylanthracene (CID 605822) is 9,10-dibutylanthracene.
What is the SMILES notation for 9,10-dibutylanthracene?
The canonical SMILES for 9,10-dibutylanthracene is CCCCc1c2ccccc2c(CCCC)c2ccccc12.
What is the InChIKey of 9,10-dibutylanthracene?
The InChIKey is XLTRLRBXMJBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-16H,3-6,11-12H2,1-2H3.
What are the key properties of 9,10-dibutylanthracene?
9,10-dibutylanthracene has a molecular weight of 290.45 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibutylanthracene is sourced from PubChem (CID 605822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).