1,3,4,7-tetrathiophen-2-yl-2-benzothiophene

C24H14S5 — CID 14790592

IUPAC1,3,4,7-tetrathiophen-2-yl-2-benzothiophene
SMILESc1csc(-c2ccc(-c3cccs3)c3c(-c4cccs4)sc(-c4cccs4)c23)c1
InChIInChI=1S/C24H14S5/c1-5-17(25-11-1)15-9-10-16(18-6-2-12-26-18)22-21(15)23(19-7-3-13-27-19)29-24(22)20-8-4-14-28-20/h1-14H
InChIKeyVGHABBUJZARKPH-UHFFFAOYSA-N
MW462.71 g/mol
LogP9.82
Rot. Bonds4

About 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene

1,3,4,7-tetrathiophen-2-yl-2-benzothiophene (PubChem CID 14790592) has the molecular formula C24H14S5 and a molecular weight of 462.71 g/mol. Its IUPAC name is 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene.

Molecular Properties

Compound Name1,3,4,7-tetrathiophen-2-yl-2-benzothiophene
PubChem CID14790592
Molecular FormulaC24H14S5
Molecular Weight462.71 g/mol
Exact Mass461.97
IUPAC Name1,3,4,7-tetrathiophen-2-yl-2-benzothiophene
SMILESc1csc(-c2ccc(-c3cccs3)c3c(-c4cccs4)sc(-c4cccs4)c23)c1
InChIInChI=1S/C24H14S5/c1-5-17(25-11-1)15-9-10-16(18-6-2-12-26-18)22-21(15)23(19-7-3-13-27-19)29-24(22)20-8-4-14-28-20/h1-14H
InChIKeyVGHABBUJZARKPH-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.71
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene?
The IUPAC name of 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene (CID 14790592) is 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene.
What is the SMILES notation for 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene?
The canonical SMILES for 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene is c1csc(-c2ccc(-c3cccs3)c3c(-c4cccs4)sc(-c4cccs4)c23)c1.
What is the InChIKey of 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene?
The InChIKey is VGHABBUJZARKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14S5/c1-5-17(25-11-1)15-9-10-16(18-6-2-12-26-18)22-21(15)23(19-7-3-13-27-19)29-24(22)20-8-4-14-28-20/h1-14H.
What are the key properties of 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene?
1,3,4,7-tetrathiophen-2-yl-2-benzothiophene has a molecular weight of 462.71 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7-tetrathiophen-2-yl-2-benzothiophene is sourced from PubChem (CID 14790592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).