1-(4-dibenzothiophen-4-ylphenyl)imidazole

C21H14N2S — CID 175483044

IUPAC1-(4-dibenzothiophen-4-ylphenyl)imidazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-n4ccnc4)cc3)cccc12
InChIInChI=1S/C21H14N2S/c1-2-7-20-18(4-1)19-6-3-5-17(21(19)24-20)15-8-10-16(11-9-15)23-13-12-22-14-23/h1-14H
InChIKeyFLVFHYDLCAMGFV-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.91
Rot. Bonds2

About 1-(4-dibenzothiophen-4-ylphenyl)imidazole

1-(4-dibenzothiophen-4-ylphenyl)imidazole (PubChem CID 175483044) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-dibenzothiophen-4-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-dibenzothiophen-4-ylphenyl)imidazole
PubChem CID175483044
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name1-(4-dibenzothiophen-4-ylphenyl)imidazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-n4ccnc4)cc3)cccc12
InChIInChI=1S/C21H14N2S/c1-2-7-20-18(4-1)19-6-3-5-17(21(19)24-20)15-8-10-16(11-9-15)23-13-12-22-14-23/h1-14H
InChIKeyFLVFHYDLCAMGFV-UHFFFAOYSA-N
XLogP5.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole
CID 123380075
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)imidazole?
The IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)imidazole (CID 175483044) is 1-(4-dibenzothiophen-4-ylphenyl)imidazole.
What is the SMILES notation for 1-(4-dibenzothiophen-4-ylphenyl)imidazole?
The canonical SMILES for 1-(4-dibenzothiophen-4-ylphenyl)imidazole is c1ccc2c(c1)sc1c(-c3ccc(-n4ccnc4)cc3)cccc12.
What is the InChIKey of 1-(4-dibenzothiophen-4-ylphenyl)imidazole?
The InChIKey is FLVFHYDLCAMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-7-20-18(4-1)19-6-3-5-17(21(19)24-20)15-8-10-16(11-9-15)23-13-12-22-14-23/h1-14H.
What are the key properties of 1-(4-dibenzothiophen-4-ylphenyl)imidazole?
1-(4-dibenzothiophen-4-ylphenyl)imidazole has a molecular weight of 326.42 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzothiophen-4-ylphenyl)imidazole is sourced from PubChem (CID 175483044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).