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

C32H28S — CID 86138446

IUPAC2,3,4,5-tetrakis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H28S/c1-21-5-13-25(14-6-21)29-30(26-15-7-22(2)8-16-26)32(28-19-11-24(4)12-20-28)33-31(29)27-17-9-23(3)10-18-27/h5-20H,1-4H3
InChIKeyAXMCDQHRSBJMKW-UHFFFAOYSA-N
MW444.64 g/mol
LogP9.65
Rot. Bonds4

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

2,3,4,5-tetrakis(4-methylphenyl)thiophene (PubChem CID 86138446) has the molecular formula C32H28S and a molecular weight of 444.64 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2,3,4,5-tetrakis(4-methylphenyl)thiophene
PubChem CID86138446
Molecular FormulaC32H28S
Molecular Weight444.64 g/mol
Exact Mass444.19
IUPAC Name2,3,4,5-tetrakis(4-methylphenyl)thiophene
SMILESCc1ccc(-c2sc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H28S/c1-21-5-13-25(14-6-21)29-30(26-15-7-22(2)8-16-26)32(28-19-11-24(4)12-20-28)33-31(29)27-17-9-23(3)10-18-27/h5-20H,1-4H3
InChIKeyAXMCDQHRSBJMKW-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.64
LogP ≤ 59.65
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-methylphenyl)thiophene?
The IUPAC name of 2,3,4,5-tetrakis(4-methylphenyl)thiophene (CID 86138446) is 2,3,4,5-tetrakis(4-methylphenyl)thiophene.
What is the SMILES notation for 2,3,4,5-tetrakis(4-methylphenyl)thiophene?
The canonical SMILES for 2,3,4,5-tetrakis(4-methylphenyl)thiophene is Cc1ccc(-c2sc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3,4,5-tetrakis(4-methylphenyl)thiophene?
The InChIKey is AXMCDQHRSBJMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28S/c1-21-5-13-25(14-6-21)29-30(26-15-7-22(2)8-16-26)32(28-19-11-24(4)12-20-28)33-31(29)27-17-9-23(3)10-18-27/h5-20H,1-4H3.
What are the key properties of 2,3,4,5-tetrakis(4-methylphenyl)thiophene?
2,3,4,5-tetrakis(4-methylphenyl)thiophene has a molecular weight of 444.64 g/mol, XLogP of 9.65, 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-methylphenyl)thiophene is sourced from PubChem (CID 86138446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).