2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene

C26H24S4 — CID 71418336

IUPAC2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc5ccccc5s4)s3)s2)s1
InChIInChI=1S/C26H24S4/c1-2-3-4-5-9-19-11-12-21(27-19)22-13-14-23(29-22)24-15-16-25(30-24)26-17-18-8-6-7-10-20(18)28-26/h6-8,10-17H,2-5,9H2,1H3
InChIKeyKUAYGVHRYSVXSG-UHFFFAOYSA-N
MW464.75 g/mol
LogP10.21
Rot. Bonds8

About 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene

2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene (PubChem CID 71418336) has the molecular formula C26H24S4 and a molecular weight of 464.75 g/mol. Its IUPAC name is 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene.

Molecular Properties

Compound Name2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
PubChem CID71418336
Molecular FormulaC26H24S4
Molecular Weight464.75 g/mol
Exact Mass464.08
IUPAC Name2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc5ccccc5s4)s3)s2)s1
InChIInChI=1S/C26H24S4/c1-2-3-4-5-9-19-11-12-21(27-19)22-13-14-23(29-22)24-15-16-25(30-24)26-17-18-8-6-7-10-20(18)28-26/h6-8,10-17H,2-5,9H2,1H3
InChIKeyKUAYGVHRYSVXSG-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-hexyl-5-[5-[5-[13-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pentacen-6-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 101482940
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
6-(5-dodecylthiophen-2-yl)-5,9-dithiapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(20),2,4(8),6,10,12,14,16,18-nonaene
CID 122204756
2,5-diheptylthiophene
CID 607114
4,9-bis(5-dodecylthiophen-2-yl)-3,10-dithia-13,20-diazapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(20),2(6),4,7(11),8,12,14,16,18-nonaene
CID 102291101
2-butyl-1-benzothiophene
CID 70061043
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene?
The IUPAC name of 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene (CID 71418336) is 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene.
What is the SMILES notation for 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene?
The canonical SMILES for 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4cc5ccccc5s4)s3)s2)s1.
What is the InChIKey of 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene?
The InChIKey is KUAYGVHRYSVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24S4/c1-2-3-4-5-9-19-11-12-21(27-19)22-13-14-23(29-22)24-15-16-25(30-24)26-17-18-8-6-7-10-20(18)28-26/h6-8,10-17H,2-5,9H2,1H3.
What are the key properties of 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene?
2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene has a molecular weight of 464.75 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene is sourced from PubChem (CID 71418336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).