2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene

C28H16S7 — CID 13113982

IUPAC2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESc1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cccs7)s6)s5)s4)s3)s2)c1
InChIInChI=1S/C28H16S7/c1-3-17(29-15-1)19-5-7-21(31-19)23-9-11-25(33-23)27-13-14-28(35-27)26-12-10-24(34-26)22-8-6-20(32-22)18-4-2-16-30-18/h1-16H
InChIKeyDCIYLINCGGGNLC-UHFFFAOYSA-N
MW576.91 g/mol
LogP12.12
Rot. Bonds6

About 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene

2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene (PubChem CID 13113982) has the molecular formula C28H16S7 and a molecular weight of 576.91 g/mol. Its IUPAC name is 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
PubChem CID13113982
Molecular FormulaC28H16S7
Molecular Weight576.91 g/mol
Exact Mass575.93
IUPAC Name2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESc1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cccs7)s6)s5)s4)s3)s2)c1
InChIInChI=1S/C28H16S7/c1-3-17(29-15-1)19-5-7-21(31-19)23-9-11-25(33-23)27-13-14-28(35-27)26-12-10-24(34-26)22-8-6-20(32-22)18-4-2-16-30-18/h1-16H
InChIKeyDCIYLINCGGGNLC-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.91
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene (CID 13113982) is 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene is c1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cccs7)s6)s5)s4)s3)s2)c1.
What is the InChIKey of 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is DCIYLINCGGGNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16S7/c1-3-17(29-15-1)19-5-7-21(31-19)23-9-11-25(33-23)27-13-14-28(35-27)26-12-10-24(34-26)22-8-6-20(32-22)18-4-2-16-30-18/h1-16H.
What are the key properties of 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 576.91 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 13113982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).