4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene

C30H21FS — CID 139447436

IUPAC4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene
SMILESFc1ccc(-c2cccc3c2S(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C30H21FS/c31-23-20-18-22(19-21-23)26-15-9-16-28-27-14-7-8-17-29(27)32(30(26)28,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-21H
InChIKeyWHFBFGBFNMQFGC-UHFFFAOYSA-N
MW432.56 g/mol
LogP8.81
Rot. Bonds3

About 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene

4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene (PubChem CID 139447436) has the molecular formula C30H21FS and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene
PubChem CID139447436
Molecular FormulaC30H21FS
Molecular Weight432.56 g/mol
Exact Mass432.13
IUPAC Name4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene
SMILESFc1ccc(-c2cccc3c2S(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C30H21FS/c31-23-20-18-22(19-21-23)26-15-9-16-28-27-14-7-8-17-29(27)32(30(26)28,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-21H
InChIKeyWHFBFGBFNMQFGC-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 134455264
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
CID 170297558
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
1-(4-fluorophenyl)dibenzothiophene
CID 21111722
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
[2-(4-fluorophenyl)phenyl]-diphenylphosphane
CID 101050042
5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
CID 169285419
5-(4-fluorophenyl)naphthalen-1-amine
CID 172677714
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
4-[4,6-bis[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572110

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene?
The IUPAC name of 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene (CID 139447436) is 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene.
What is the SMILES notation for 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene?
The canonical SMILES for 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene is Fc1ccc(-c2cccc3c2S(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene?
The InChIKey is WHFBFGBFNMQFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FS/c31-23-20-18-22(19-21-23)26-15-9-16-28-27-14-7-8-17-29(27)32(30(26)28,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-21H.
What are the key properties of 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene?
4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene has a molecular weight of 432.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5,5-diphenyldibenzothiophene is sourced from PubChem (CID 139447436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).