4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C20H10F2S3 — CID 138460263

IUPAC4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESFc1ccc(-c2cc3sc4cc(-c5ccc(F)cc5)sc4c3s2)cc1
InChIInChI=1S/C20H10F2S3/c21-13-5-1-11(2-6-13)15-9-17-19(24-15)20-18(23-17)10-16(25-20)12-3-7-14(22)8-4-12/h1-10H
InChIKeyOXBZQPCIEVQBJQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP7.79
Rot. Bonds2

About 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 138460263) has the molecular formula C20H10F2S3 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID138460263
Molecular FormulaC20H10F2S3
Molecular Weight384.50 g/mol
Exact Mass383.99
IUPAC Name4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESFc1ccc(-c2cc3sc4cc(-c5ccc(F)cc5)sc4c3s2)cc1
InChIInChI=1S/C20H10F2S3/c21-13-5-1-11(2-6-13)15-9-17-19(24-15)20-18(23-17)10-16(25-20)12-3-7-14(22)8-4-12/h1-10H
InChIKeyOXBZQPCIEVQBJQ-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,9-bis(4-fluorophenyl)-14-methyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
CID 163587112
5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione
CID 16640443
6-bromo-2-(4-fluorophenyl)-1-benzothiophene
CID 57421916
6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
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1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
6,16-bis(4-propylphenyl)-5,9,13,17-tetrathiapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,4(8),6,10,14(18),15-heptaene
CID 130310856
4-fluoro-11-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(11-fluoro-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)phenyl]phenyl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 170275087
4-bromo-2-(4-fluorophenyl)thiophene
CID 69105863
5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine
CID 156849941
carbamoyl 2-amino-5-(4-fluorophenyl)thiophene-3-carboxylate
CID 90820267
6-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylthieno[3,2-d]pyrimidine
CID 118520700
5-(4-fluorophenyl)-3-[methyl(sulfanyl)amino]thiophene-2-carbaldehyde;methanol
CID 143172722

Frequently Asked Questions

What is the IUPAC name of 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 138460263) is 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is Fc1ccc(-c2cc3sc4cc(-c5ccc(F)cc5)sc4c3s2)cc1.
What is the InChIKey of 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is OXBZQPCIEVQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2S3/c21-13-5-1-11(2-6-13)15-9-17-19(24-15)20-18(23-17)10-16(25-20)12-3-7-14(22)8-4-12/h1-10H.
What are the key properties of 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 384.50 g/mol, XLogP of 7.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-bis(4-fluorophenyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 138460263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).