4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene

C28H24S — CID 146578977

IUPAC4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C28H24S/c1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h4-18H,1-3H3
InChIKeyUZSXIEYHWWAZBP-UHFFFAOYSA-N
MW392.57 g/mol
LogP8.69
Rot. Bonds2

About 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene

4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene (PubChem CID 146578977) has the molecular formula C28H24S and a molecular weight of 392.57 g/mol. Its IUPAC name is 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
PubChem CID146578977
Molecular FormulaC28H24S
Molecular Weight392.57 g/mol
Exact Mass392.16
IUPAC Name4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C28H24S/c1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h4-18H,1-3H3
InChIKeyUZSXIEYHWWAZBP-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzothiophene
CID 146578544
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-(2-tert-butyl-3-dibenzothiophen-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzothiophene;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-(2,3-ditert-butylphenyl)dibenzothiophene;4-(2,3-ditert-butylphenyl)dibenzothiophene
CID 162086898
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene (CID 146578977) is 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene is CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene?
The InChIKey is UZSXIEYHWWAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24S/c1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h4-18H,1-3H3.
What are the key properties of 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene?
4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene has a molecular weight of 392.57 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 146578977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).