2-(1-hexylanthracen-9-yl)thiophene

C24H24S — CID 141284858

IUPAC2-(1-hexylanthracen-9-yl)thiophene
SMILESCCCCCCc1cccc2cc3ccccc3c(-c3cccs3)c12
InChIInChI=1S/C24H24S/c1-2-3-4-5-10-18-12-8-13-20-17-19-11-6-7-14-21(19)24(23(18)20)22-15-9-16-25-22/h6-9,11-17H,2-5,10H2,1H3
InChIKeyNLBUMOUCXNSREF-UHFFFAOYSA-N
MW344.52 g/mol
LogP7.84
Rot. Bonds6

About 2-(1-hexylanthracen-9-yl)thiophene

2-(1-hexylanthracen-9-yl)thiophene (PubChem CID 141284858) has the molecular formula C24H24S and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-(1-hexylanthracen-9-yl)thiophene.

Molecular Properties

Compound Name2-(1-hexylanthracen-9-yl)thiophene
PubChem CID141284858
Molecular FormulaC24H24S
Molecular Weight344.52 g/mol
Exact Mass344.16
IUPAC Name2-(1-hexylanthracen-9-yl)thiophene
SMILESCCCCCCc1cccc2cc3ccccc3c(-c3cccs3)c12
InChIInChI=1S/C24H24S/c1-2-3-4-5-10-18-12-8-13-20-17-19-11-6-7-14-21(19)24(23(18)20)22-15-9-16-25-22/h6-9,11-17H,2-5,10H2,1H3
InChIKeyNLBUMOUCXNSREF-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-tetradecylnaphthalene
CID 14402128
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
potassium;hydride;1-octylnaphthalene
CID 173443599
1-hexylbenzo[a]pyrene
CID 139846085
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
(1-octylanthracen-9-yl)methanamine;2,2,2-trifluoroacetic acid
CID 118513319
3-dodecyltridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-1(42),2,4,6,8(41),9,11,13,15(40),16,18,20,22(39),23,25,27,29(38),30,32,34,36,43,45,47-tetracosaene
CID 159324779
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
9-(2,3,4,5-tetrahexyl-9H-fluoren-1-yl)anthracene
CID 141470947

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexylanthracen-9-yl)thiophene?
The IUPAC name of 2-(1-hexylanthracen-9-yl)thiophene (CID 141284858) is 2-(1-hexylanthracen-9-yl)thiophene.
What is the SMILES notation for 2-(1-hexylanthracen-9-yl)thiophene?
The canonical SMILES for 2-(1-hexylanthracen-9-yl)thiophene is CCCCCCc1cccc2cc3ccccc3c(-c3cccs3)c12.
What is the InChIKey of 2-(1-hexylanthracen-9-yl)thiophene?
The InChIKey is NLBUMOUCXNSREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24S/c1-2-3-4-5-10-18-12-8-13-20-17-19-11-6-7-14-21(19)24(23(18)20)22-15-9-16-25-22/h6-9,11-17H,2-5,10H2,1H3.
What are the key properties of 2-(1-hexylanthracen-9-yl)thiophene?
2-(1-hexylanthracen-9-yl)thiophene has a molecular weight of 344.52 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexylanthracen-9-yl)thiophene is sourced from PubChem (CID 141284858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).