2,3,4,5-tetrakis(4-chlorophenyl)thiophene

C28H16Cl4S — CID 102151646

IUPAC2,3,4,5-tetrakis(4-chlorophenyl)thiophene
SMILESClc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H16Cl4S/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)28(20-7-15-24(32)16-8-20)33-27(25)19-5-13-23(31)14-6-19/h1-16H
InChIKeyRRJHJKJKOXIWDW-UHFFFAOYSA-N
MW526.32 g/mol
LogP11.03
Rot. Bonds4

About 2,3,4,5-tetrakis(4-chlorophenyl)thiophene

2,3,4,5-tetrakis(4-chlorophenyl)thiophene (PubChem CID 102151646) has the molecular formula C28H16Cl4S and a molecular weight of 526.32 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(4-chlorophenyl)thiophene.

Molecular Properties

Compound Name2,3,4,5-tetrakis(4-chlorophenyl)thiophene
PubChem CID102151646
Molecular FormulaC28H16Cl4S
Molecular Weight526.32 g/mol
Exact Mass523.97
IUPAC Name2,3,4,5-tetrakis(4-chlorophenyl)thiophene
SMILESClc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H16Cl4S/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)28(20-7-15-24(32)16-8-20)33-27(25)19-5-13-23(31)14-6-19/h1-16H
InChIKeyRRJHJKJKOXIWDW-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.32
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(4-chlorophenyl)thiophene?
The IUPAC name of 2,3,4,5-tetrakis(4-chlorophenyl)thiophene (CID 102151646) is 2,3,4,5-tetrakis(4-chlorophenyl)thiophene.
What is the SMILES notation for 2,3,4,5-tetrakis(4-chlorophenyl)thiophene?
The canonical SMILES for 2,3,4,5-tetrakis(4-chlorophenyl)thiophene is Clc1ccc(-c2sc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3,4,5-tetrakis(4-chlorophenyl)thiophene?
The InChIKey is RRJHJKJKOXIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl4S/c29-21-9-1-17(2-10-21)25-26(18-3-11-22(30)12-4-18)28(20-7-15-24(32)16-8-20)33-27(25)19-5-13-23(31)14-6-19/h1-16H.
What are the key properties of 2,3,4,5-tetrakis(4-chlorophenyl)thiophene?
2,3,4,5-tetrakis(4-chlorophenyl)thiophene has a molecular weight of 526.32 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(4-chlorophenyl)thiophene is sourced from PubChem (CID 102151646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).