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

C32H28O4S — CID 67519507

IUPAC2,3,4,5-tetrakis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H28O4S/c1-33-25-13-5-21(6-14-25)29-30(22-7-15-26(34-2)16-8-22)32(24-11-19-28(36-4)20-12-24)37-31(29)23-9-17-27(35-3)18-10-23/h5-20H,1-4H3
InChIKeyWMZWDFJVVJKNCE-UHFFFAOYSA-N
MW508.64 g/mol
LogP8.45
Rot. Bonds8

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

2,3,4,5-tetrakis(4-methoxyphenyl)thiophene (PubChem CID 67519507) has the molecular formula C32H28O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2,3,4,5-tetrakis(4-methoxyphenyl)thiophene
PubChem CID67519507
Molecular FormulaC32H28O4S
Molecular Weight508.64 g/mol
Exact Mass508.17
IUPAC Name2,3,4,5-tetrakis(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H28O4S/c1-33-25-13-5-21(6-14-25)29-30(22-7-15-26(34-2)16-8-22)32(24-11-19-28(36-4)20-12-24)37-31(29)23-9-17-27(35-3)18-10-23/h5-20H,1-4H3
InChIKeyWMZWDFJVVJKNCE-UHFFFAOYSA-N
XLogP8.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene?
The IUPAC name of 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene (CID 67519507) is 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene?
The canonical SMILES for 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene is COc1ccc(-c2sc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene?
The InChIKey is WMZWDFJVVJKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O4S/c1-33-25-13-5-21(6-14-25)29-30(22-7-15-26(34-2)16-8-22)32(24-11-19-28(36-4)20-12-24)37-31(29)23-9-17-27(35-3)18-10-23/h5-20H,1-4H3.
What are the key properties of 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene?
2,3,4,5-tetrakis(4-methoxyphenyl)thiophene has a molecular weight of 508.64 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(4-methoxyphenyl)thiophene is sourced from PubChem (CID 67519507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).