9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate

C25H18O2S — CID 7795740

IUPAC9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O2S/c26-24(16-28-19-14-13-17-7-1-2-8-18(17)15-19)27-25-22-11-5-3-9-20(22)21-10-4-6-12-23(21)25/h1-15,25H,16H2
InChIKeyGPUMQCDDMYVGAM-UHFFFAOYSA-N
MW382.48 g/mol
LogP6.25
Rot. Bonds4

About 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate

9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7795740) has the molecular formula C25H18O2S and a molecular weight of 382.48 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate
PubChem CID7795740
Molecular FormulaC25H18O2S
Molecular Weight382.48 g/mol
Exact Mass382.10
IUPAC Name9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H18O2S/c26-24(16-28-19-14-13-17-7-1-2-8-18(17)15-19)27-25-22-11-5-3-9-20(22)21-10-4-6-12-23(21)25/h1-15,25H,16H2
InChIKeyGPUMQCDDMYVGAM-UHFFFAOYSA-N
XLogP6.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-yl 2-(4-bromophenyl)sulfanylacetate
CID 7903234
9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701638
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795777
(2-naphthalen-2-ylsulfanylacetyl) 2-naphthalen-2-yl-2-sulfanylacetate
CID 91454907
2-(naphthalen-2-ylsulfanylmethyl)isoindole-1,3-dione
CID 2500697
9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate
CID 122469823
1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate (CID 7795740) is 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate is O=C(CSc1ccc2ccccc2c1)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is GPUMQCDDMYVGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2S/c26-24(16-28-19-14-13-17-7-1-2-8-18(17)15-19)27-25-22-11-5-3-9-20(22)21-10-4-6-12-23(21)25/h1-15,25H,16H2.
What are the key properties of 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate?
9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 382.48 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7795740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).