4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine

C25H17NS — CID 156553424

IUPAC4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
SMILESc1ccc(-c2ccncc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H17NS/c1-3-9-18(10-4-1)20-15-16-26-17-23(20)25-22-14-8-7-13-21(22)24(27-25)19-11-5-2-6-12-19/h1-17H
InChIKeyOWGJUHYYDUWXEU-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.30
Rot. Bonds3

About 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine

4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine (PubChem CID 156553424) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine.

Molecular Properties

Compound Name4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
PubChem CID156553424
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
SMILESc1ccc(-c2ccncc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H17NS/c1-3-9-18(10-4-1)20-15-16-26-17-23(20)25-22-14-8-7-13-21(22)24(27-25)19-11-5-2-6-12-19/h1-17H
InChIKeyOWGJUHYYDUWXEU-UHFFFAOYSA-N
XLogP7.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
CID 156552741
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
CID 158775804
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
4-(bromomethyl)-3-phenylpyridine
CID 118822650
3,4-bis(3-fluorophenyl)pyridine
CID 46313677

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine?
The IUPAC name of 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine (CID 156553424) is 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine.
What is the SMILES notation for 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine?
The canonical SMILES for 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine is c1ccc(-c2ccncc2-c2sc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine?
The InChIKey is OWGJUHYYDUWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-3-9-18(10-4-1)20-15-16-26-17-23(20)25-22-14-8-7-13-21(22)24(27-25)19-11-5-2-6-12-19/h1-17H.
What are the key properties of 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine?
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine has a molecular weight of 363.49 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine is sourced from PubChem (CID 156553424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).