3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene

C30H18S6 — CID 58130596

IUPAC3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
SMILESc1cc(-c2sccc2-c2cc(-c3ccsc3-c3ccsc3)cc(-c3ccsc3-c3ccsc3)c2)cs1
InChIInChI=1S/C30H18S6/c1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-18H
InChIKeyYDJAMQBDDVDUPC-UHFFFAOYSA-N
MW570.88 g/mol
LogP12.06
Rot. Bonds6

About 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene

3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene (PubChem CID 58130596) has the molecular formula C30H18S6 and a molecular weight of 570.88 g/mol. Its IUPAC name is 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene.

Molecular Properties

Compound Name3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
PubChem CID58130596
Molecular FormulaC30H18S6
Molecular Weight570.88 g/mol
Exact Mass569.97
IUPAC Name3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
SMILESc1cc(-c2sccc2-c2cc(-c3ccsc3-c3ccsc3)cc(-c3ccsc3-c3ccsc3)c2)cs1
InChIInChI=1S/C30H18S6/c1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-18H
InChIKeyYDJAMQBDDVDUPC-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.88
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene?
The IUPAC name of 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene (CID 58130596) is 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene.
What is the SMILES notation for 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene?
The canonical SMILES for 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene is c1cc(-c2sccc2-c2cc(-c3ccsc3-c3ccsc3)cc(-c3ccsc3-c3ccsc3)c2)cs1.
What is the InChIKey of 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene?
The InChIKey is YDJAMQBDDVDUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18S6/c1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-18H.
What are the key properties of 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene?
3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene has a molecular weight of 570.88 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene is sourced from PubChem (CID 58130596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).