2,7-dithiophen-2-ylfluoren-9-one

C21H12OS2 — CID 57407672

IUPAC2,7-dithiophen-2-ylfluoren-9-one
SMILESO=C1c2cc(-c3cccs3)ccc2-c2ccc(-c3cccs3)cc21
InChIInChI=1S/C21H12OS2/c22-21-17-11-13(19-3-1-9-23-19)5-7-15(17)16-8-6-14(12-18(16)21)20-4-2-10-24-20/h1-12H
InChIKeyYFMFNFHRPMFTSR-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.36
Rot. Bonds2

About 2,7-dithiophen-2-ylfluoren-9-one

2,7-dithiophen-2-ylfluoren-9-one (PubChem CID 57407672) has the molecular formula C21H12OS2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,7-dithiophen-2-ylfluoren-9-one.

Molecular Properties

Compound Name2,7-dithiophen-2-ylfluoren-9-one
PubChem CID57407672
Molecular FormulaC21H12OS2
Molecular Weight344.46 g/mol
Exact Mass344.03
IUPAC Name2,7-dithiophen-2-ylfluoren-9-one
SMILESO=C1c2cc(-c3cccs3)ccc2-c2ccc(-c3cccs3)cc21
InChIInChI=1S/C21H12OS2/c22-21-17-11-13(19-3-1-9-23-19)5-7-15(17)16-8-6-14(12-18(16)21)20-4-2-10-24-20/h1-12H
InChIKeyYFMFNFHRPMFTSR-UHFFFAOYSA-N
XLogP6.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dithiophen-2-ylfluoren-9-one?
The IUPAC name of 2,7-dithiophen-2-ylfluoren-9-one (CID 57407672) is 2,7-dithiophen-2-ylfluoren-9-one.
What is the SMILES notation for 2,7-dithiophen-2-ylfluoren-9-one?
The canonical SMILES for 2,7-dithiophen-2-ylfluoren-9-one is O=C1c2cc(-c3cccs3)ccc2-c2ccc(-c3cccs3)cc21.
What is the InChIKey of 2,7-dithiophen-2-ylfluoren-9-one?
The InChIKey is YFMFNFHRPMFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12OS2/c22-21-17-11-13(19-3-1-9-23-19)5-7-15(17)16-8-6-14(12-18(16)21)20-4-2-10-24-20/h1-12H.
What are the key properties of 2,7-dithiophen-2-ylfluoren-9-one?
2,7-dithiophen-2-ylfluoren-9-one has a molecular weight of 344.46 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dithiophen-2-ylfluoren-9-one is sourced from PubChem (CID 57407672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).