3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine

C37H24N2S — CID 155307077

IUPAC3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C37H24N2S/c1-2-9-27(10-3-1)36-37(39-22-7-6-15-35(39)38-36)30-12-8-11-28(23-30)25-16-18-26(19-17-25)29-20-21-32-31-13-4-5-14-33(31)40-34(32)24-29/h1-24H
InChIKeyIJVDYGDMKATSEO-UHFFFAOYSA-N
MW528.68 g/mol
LogP10.37
Rot. Bonds4

About 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine

3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 155307077) has the molecular formula C37H24N2S and a molecular weight of 528.68 g/mol. Its IUPAC name is 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID155307077
Molecular FormulaC37H24N2S
Molecular Weight528.68 g/mol
Exact Mass528.17
IUPAC Name3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C37H24N2S/c1-2-9-27(10-3-1)36-37(39-22-7-6-15-35(39)38-36)30-12-8-11-28(23-30)25-16-18-26(19-17-25)29-20-21-32-31-13-4-5-14-33(31)40-34(32)24-29/h1-24H
InChIKeyIJVDYGDMKATSEO-UHFFFAOYSA-N
XLogP10.37
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-2-yl-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 168835941
2-(4-fluorophenyl)-3-[3-(4-fluorophenyl)phenyl]imidazo[1,2-a]pyridine
CID 71699551
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583543
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]quinoxaline
CID 164994147
3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
2-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 165048157
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781194
4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
CID 160702038

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine (CID 155307077) is 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine is c1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is IJVDYGDMKATSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2S/c1-2-9-27(10-3-1)36-37(39-22-7-6-15-35(39)38-36)30-12-8-11-28(23-30)25-16-18-26(19-17-25)29-20-21-32-31-13-4-5-14-33(31)40-34(32)24-29/h1-24H.
What are the key properties of 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine?
3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 528.68 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 155307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).