1-(1-phenylethyl)dibenzothiophene

C20H16S — CID 150655649

IUPAC1-(1-phenylethyl)dibenzothiophene
SMILESCC(c1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C20H16S/c1-14(15-8-3-2-4-9-15)16-11-7-13-19-20(16)17-10-5-6-12-18(17)21-19/h2-14H,1H3
InChIKeyJCUKIUXGYNSLME-UHFFFAOYSA-N
MW288.42 g/mol
LogP6.21
Rot. Bonds2

About 1-(1-phenylethyl)dibenzothiophene

1-(1-phenylethyl)dibenzothiophene (PubChem CID 150655649) has the molecular formula C20H16S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(1-phenylethyl)dibenzothiophene.

Molecular Properties

Compound Name1-(1-phenylethyl)dibenzothiophene
PubChem CID150655649
Molecular FormulaC20H16S
Molecular Weight288.42 g/mol
Exact Mass288.10
IUPAC Name1-(1-phenylethyl)dibenzothiophene
SMILESCC(c1ccccc1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C20H16S/c1-14(15-8-3-2-4-9-15)16-11-7-13-19-20(16)17-10-5-6-12-18(17)21-19/h2-14H,1H3
InChIKeyJCUKIUXGYNSLME-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-hexan-2-yl]dibenzothiophene
CID 122642723
1-methyldibenzothiophene
CID 23839
2-phenyl-3-[(1S)-1-phenylethyl]-1-benzothiophene
CID 134837415
1-phenyldibenzothiophene;hydrobromide
CID 174679709
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
bis(dibenzothiophene);ethane
CID 143921746
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
propanal;1-propan-2-ylthioxanthen-9-one
CID 87995354
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
CID 168810720

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)dibenzothiophene?
The IUPAC name of 1-(1-phenylethyl)dibenzothiophene (CID 150655649) is 1-(1-phenylethyl)dibenzothiophene.
What is the SMILES notation for 1-(1-phenylethyl)dibenzothiophene?
The canonical SMILES for 1-(1-phenylethyl)dibenzothiophene is CC(c1ccccc1)c1cccc2sc3ccccc3c12.
What is the InChIKey of 1-(1-phenylethyl)dibenzothiophene?
The InChIKey is JCUKIUXGYNSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16S/c1-14(15-8-3-2-4-9-15)16-11-7-13-19-20(16)17-10-5-6-12-18(17)21-19/h2-14H,1H3.
What are the key properties of 1-(1-phenylethyl)dibenzothiophene?
1-(1-phenylethyl)dibenzothiophene has a molecular weight of 288.42 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)dibenzothiophene is sourced from PubChem (CID 150655649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).