4-(4-prop-1-en-2-ylphenyl)dibenzothiophene

C21H16S — CID 142405934

IUPAC4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
SMILESC=C(C)c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C21H16S/c1-14(2)15-10-12-16(13-11-15)17-7-5-8-19-18-6-3-4-9-20(18)22-21(17)19/h3-13H,1H2,2H3
InChIKeyUITNKHGOIPRSCW-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.75
Rot. Bonds2

About 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene

4-(4-prop-1-en-2-ylphenyl)dibenzothiophene (PubChem CID 142405934) has the molecular formula C21H16S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
PubChem CID142405934
Molecular FormulaC21H16S
Molecular Weight300.43 g/mol
Exact Mass300.10
IUPAC Name4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
SMILESC=C(C)c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C21H16S/c1-14(2)15-10-12-16(13-11-15)17-7-5-8-19-18-6-3-4-9-20(18)22-21(17)19/h3-13H,1H2,2H3
InChIKeyUITNKHGOIPRSCW-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene?
The IUPAC name of 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene (CID 142405934) is 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene?
The canonical SMILES for 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene is C=C(C)c1ccc(-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene?
The InChIKey is UITNKHGOIPRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16S/c1-14(2)15-10-12-16(13-11-15)17-7-5-8-19-18-6-3-4-9-20(18)22-21(17)19/h3-13H,1H2,2H3.
What are the key properties of 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene?
4-(4-prop-1-en-2-ylphenyl)dibenzothiophene has a molecular weight of 300.43 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-1-en-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 142405934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).