1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine

C29H19NS — CID 155101157

IUPAC1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)23-14-6-7-16-25(23)28-29-26(18-19-30-28)24-15-8-9-17-27(24)31-29/h1-19H
InChIKeyGTSHULXFQPTODD-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.45
Rot. Bonds3

About 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine

1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 155101157) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID155101157
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)23-14-6-7-16-25(23)28-29-26(18-19-30-28)24-15-8-9-17-27(24)31-29/h1-19H
InChIKeyGTSHULXFQPTODD-UHFFFAOYSA-N
XLogP8.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 155101137
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
10-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858379
1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-[1]benzothiolo[2,3-c]pyridine;1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-[1]benzothiolo[2,3-c]pyridine;1-(9,10-diphenylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 158257639
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)pyrimidine
CID 155079114
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-dibenzothiophen-4-yl-4-(2-dibenzothiophen-4-yl-3-pyridinyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163566700
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine (CID 155101157) is 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccccc2-c2ccccc2-c2nccc3c2sc2ccccc23)cc1.
What is the InChIKey of 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is GTSHULXFQPTODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-2-10-20(11-3-1)21-12-4-5-13-22(21)23-14-6-7-16-25(23)28-29-26(18-19-30-28)24-15-8-9-17-27(24)31-29/h1-19H.
What are the key properties of 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine?
1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 413.55 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 155101157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).