2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene

C23H22S — CID 154989313

IUPAC2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
SMILESCC(C)(C)Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C23H22S/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-22-20(14-18)19-9-4-5-10-21(19)24-22/h4-14H,15H2,1-3H3
InChIKeyVKHAMPRLKHXPBR-UHFFFAOYSA-N
MW330.50 g/mol
LogP7.31
Rot. Bonds2

About 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene

2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene (PubChem CID 154989313) has the molecular formula C23H22S and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
PubChem CID154989313
Molecular FormulaC23H22S
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
SMILESCC(C)(C)Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C23H22S/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-22-20(14-18)19-9-4-5-10-21(19)24-22/h4-14H,15H2,1-3H3
InChIKeyVKHAMPRLKHXPBR-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
CID 166574741
2-(2-iodo-2-methylpropyl)dibenzothiophene
CID 167162829
2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane
CID 143935207
1-[4-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989327
3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
CID 156573505
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
[3-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]phenyl]-trimethylsilane
CID 171056255

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene (CID 154989313) is 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene is CC(C)(C)Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene?
The InChIKey is VKHAMPRLKHXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22S/c1-23(2,3)15-16-7-6-8-17(13-16)18-11-12-22-20(14-18)19-9-4-5-10-21(19)24-22/h4-14H,15H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene?
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene has a molecular weight of 330.50 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene is sourced from PubChem (CID 154989313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).