4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene

C24H16S3 — CID 90885474

IUPAC4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene
SMILESC(=Cc1cccc2ccccc12)c1csc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C24H16S3/c1-2-9-20-17(6-1)7-3-8-18(20)12-13-19-16-27-24(22-11-5-15-26-22)23(19)21-10-4-14-25-21/h1-16H
InChIKeyOXALQZFTPIDEQM-UHFFFAOYSA-N
MW400.59 g/mol
LogP8.53
Rot. Bonds4

About 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene

4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene (PubChem CID 90885474) has the molecular formula C24H16S3 and a molecular weight of 400.59 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene
PubChem CID90885474
Molecular FormulaC24H16S3
Molecular Weight400.59 g/mol
Exact Mass400.04
IUPAC Name4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene
SMILESC(=Cc1cccc2ccccc12)c1csc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C24H16S3/c1-2-9-20-17(6-1)7-3-8-18(20)12-13-19-16-27-24(22-11-5-15-26-22)23(19)21-10-4-14-25-21/h1-16H
InChIKeyOXALQZFTPIDEQM-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene?
The IUPAC name of 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene (CID 90885474) is 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene.
What is the SMILES notation for 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene?
The canonical SMILES for 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene is C(=Cc1cccc2ccccc12)c1csc(-c2cccs2)c1-c1cccs1.
What is the InChIKey of 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene?
The InChIKey is OXALQZFTPIDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S3/c1-2-9-20-17(6-1)7-3-8-18(20)12-13-19-16-27-24(22-11-5-15-26-22)23(19)21-10-4-14-25-21/h1-16H.
What are the key properties of 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene?
4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene has a molecular weight of 400.59 g/mol, XLogP of 8.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylethenyl)-2,3-dithiophen-2-ylthiophene is sourced from PubChem (CID 90885474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).