2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene

C26H16S4 — CID 14929391

IUPAC2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene
SMILESc1csc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6cccs6)s5)c34)s2)c1
InChIInChI=1S/C26H16S4/c1-5-17-6-2-8-19(21-12-14-25(30-21)23-10-4-16-28-23)26(17)18(7-1)20-11-13-24(29-20)22-9-3-15-27-22/h1-16H
InChIKeyGMJJCVRRRBPNGL-UHFFFAOYSA-N
MW456.68 g/mol
LogP9.75
Rot. Bonds4

About 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene

2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene (PubChem CID 14929391) has the molecular formula C26H16S4 and a molecular weight of 456.68 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene
PubChem CID14929391
Molecular FormulaC26H16S4
Molecular Weight456.68 g/mol
Exact Mass456.01
IUPAC Name2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene
SMILESc1csc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6cccs6)s5)c34)s2)c1
InChIInChI=1S/C26H16S4/c1-5-17-6-2-8-19(21-12-14-25(30-21)23-10-4-16-28-23)26(17)18(7-1)20-11-13-24(29-20)22-9-3-15-27-22/h1-16H
InChIKeyGMJJCVRRRBPNGL-UHFFFAOYSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The IUPAC name of 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene (CID 14929391) is 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene.
What is the SMILES notation for 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The canonical SMILES for 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene is c1csc(-c2ccc(-c3cccc4cccc(-c5ccc(-c6cccs6)s5)c34)s2)c1.
What is the InChIKey of 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The InChIKey is GMJJCVRRRBPNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16S4/c1-5-17-6-2-8-19(21-12-14-25(30-21)23-10-4-16-28-23)26(17)18(7-1)20-11-13-24(29-20)22-9-3-15-27-22/h1-16H.
What are the key properties of 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene has a molecular weight of 456.68 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[8-(5-thiophen-2-ylthiophen-2-yl)naphthalen-1-yl]thiophene is sourced from PubChem (CID 14929391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).