6-fluoro-4,5-diphenylbenzo[e][1]benzothiole

C24H15FS — CID 102335430

IUPAC6-fluoro-4,5-diphenylbenzo[e][1]benzothiole
SMILESFc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1sccc12
InChIInChI=1S/C24H15FS/c25-20-13-7-12-18-19-14-15-26-24(19)22(17-10-5-2-6-11-17)21(23(18)20)16-8-3-1-4-9-16/h1-15H
InChIKeySIVWDOVSKYLVNQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP7.53
Rot. Bonds2

About 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole

6-fluoro-4,5-diphenylbenzo[e][1]benzothiole (PubChem CID 102335430) has the molecular formula C24H15FS and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole.

Molecular Properties

Compound Name6-fluoro-4,5-diphenylbenzo[e][1]benzothiole
PubChem CID102335430
Molecular FormulaC24H15FS
Molecular Weight354.45 g/mol
Exact Mass354.09
IUPAC Name6-fluoro-4,5-diphenylbenzo[e][1]benzothiole
SMILESFc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1sccc12
InChIInChI=1S/C24H15FS/c25-20-13-7-12-18-19-14-15-26-24(19)22(17-10-5-2-6-11-17)21(23(18)20)16-8-3-1-4-9-16/h1-15H
InChIKeySIVWDOVSKYLVNQ-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-diphenylthieno[3,2-g][1]benzothiole
CID 68617982
5-phenylthieno[3,2-e][1]benzothiol-4-ol
CID 102205778
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
3,18,22,41-tetrathiatridecacyclo[31.6.5.02,6.07,38.08,13.014,37.015,19.020,36.021,25.026,35.027,32.034,39.040,44]tetratetraconta-1,4,6,8,10,12,14,16,19,21(25),23,26(35),27,29,31,33,36,38,40(44),42-icosaene
CID 132572487
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
CID 176744457
3,14-diphenyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
CID 155784524
7-phenylthieno[2,3-c]pyridin-4-ol
CID 141186456
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
CID 176745306
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176744276
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
CID 24827241
1-fluoro-3-(2-fluorophenyl)-2-phenylbenzene
CID 90908920

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole?
The IUPAC name of 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole (CID 102335430) is 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole.
What is the SMILES notation for 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole?
The canonical SMILES for 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole is Fc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1sccc12.
What is the InChIKey of 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole?
The InChIKey is SIVWDOVSKYLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FS/c25-20-13-7-12-18-19-14-15-26-24(19)22(17-10-5-2-6-11-17)21(23(18)20)16-8-3-1-4-9-16/h1-15H.
What are the key properties of 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole?
6-fluoro-4,5-diphenylbenzo[e][1]benzothiole has a molecular weight of 354.45 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,5-diphenylbenzo[e][1]benzothiole is sourced from PubChem (CID 102335430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).