dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone

C27H14F3NO2S — CID 71739621

IUPACdibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C27H14F3NO2S/c28-27(29,30)21-9-4-7-18-23(15-11-12-33-14-15)20(13-31-24(18)21)25(32)19-8-3-6-17-16-5-1-2-10-22(16)34-26(17)19/h1-14H
InChIKeyFFJGLXDJTWNTKF-UHFFFAOYSA-N
MW473.48 g/mol
LogP8.11
Rot. Bonds3

About dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone

dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 71739621) has the molecular formula C27H14F3NO2S and a molecular weight of 473.48 g/mol. Its IUPAC name is dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Namedibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID71739621
Molecular FormulaC27H14F3NO2S
Molecular Weight473.48 g/mol
Exact Mass473.07
IUPAC Namedibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C27H14F3NO2S/c28-27(29,30)21-9-4-7-18-23(15-11-12-33-14-15)20(13-31-24(18)21)25(32)19-8-3-6-17-16-5-1-2-10-22(16)34-26(17)19/h1-14H
InChIKeyFFJGLXDJTWNTKF-UHFFFAOYSA-N
XLogP8.11
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone 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

Furan-3-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11474069
Furan-2-yl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 66914508
4-(Furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde
CID 121005011
2-[3-(Furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
CID 54311171
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
4-Dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
CID 58050216
4-([1]Benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine
CID 126749582
7-[[6-Methoxy-2-(2-methylbenzoyl)-1-benzothiophen-3-yl]oxy]quinoline-3-carbaldehyde
CID 129228252
5-(Furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline
CID 141093869
6-Thiophen-3-ylfuro[2,3-h]quinoline
CID 142737835
10-(6-Dibenzothiophen-4-yldibenzofuran-4-yl)benzo[h]quinoline
CID 146300892
1-Benzofuran;1-benzothiophene;ethane;quinoline
CID 159682049

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone (CID 71739621) is dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone is O=C(c1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1)c1cccc2c1sc1ccccc12.
What is the InChIKey of dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is FFJGLXDJTWNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14F3NO2S/c28-27(29,30)21-9-4-7-18-23(15-11-12-33-14-15)20(13-31-24(18)21)25(32)19-8-3-6-17-16-5-1-2-10-22(16)34-26(17)19/h1-14H.
What are the key properties of dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone?
dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 473.48 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 71739621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).