4-(9-methyldibenzothiophen-3-yl)pyridine

C18H13NS — CID 146397284

IUPAC4-(9-methyldibenzothiophen-3-yl)pyridine
SMILESCc1cccc2sc3cc(-c4ccncc4)ccc3c12
InChIInChI=1S/C18H13NS/c1-12-3-2-4-16-18(12)15-6-5-14(11-17(15)20-16)13-7-9-19-10-8-13/h2-11H,1H3
InChIKeyUAAOVJFCIUEGNX-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.42
Rot. Bonds1

About 4-(9-methyldibenzothiophen-3-yl)pyridine

4-(9-methyldibenzothiophen-3-yl)pyridine (PubChem CID 146397284) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(9-methyldibenzothiophen-3-yl)pyridine.

Molecular Properties

Compound Name4-(9-methyldibenzothiophen-3-yl)pyridine
PubChem CID146397284
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name4-(9-methyldibenzothiophen-3-yl)pyridine
SMILESCc1cccc2sc3cc(-c4ccncc4)ccc3c12
InChIInChI=1S/C18H13NS/c1-12-3-2-4-16-18(12)15-6-5-14(11-17(15)20-16)13-7-9-19-10-8-13/h2-11H,1H3
InChIKeyUAAOVJFCIUEGNX-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9-methyldibenzothiophen-3-yl)pyrimidine
CID 146397241
1-methyldibenzothiophene
CID 23839
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
1-methyl-8-(8-methyliodanuidyldibenzothiophen-3-yl)dibenzothiophene
CID 163428736
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
(7-dibenzothiophen-3-yldibenzothiophen-1-yl)boronic acid
CID 170529242
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 155328619
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295306

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyldibenzothiophen-3-yl)pyridine?
The IUPAC name of 4-(9-methyldibenzothiophen-3-yl)pyridine (CID 146397284) is 4-(9-methyldibenzothiophen-3-yl)pyridine.
What is the SMILES notation for 4-(9-methyldibenzothiophen-3-yl)pyridine?
The canonical SMILES for 4-(9-methyldibenzothiophen-3-yl)pyridine is Cc1cccc2sc3cc(-c4ccncc4)ccc3c12.
What is the InChIKey of 4-(9-methyldibenzothiophen-3-yl)pyridine?
The InChIKey is UAAOVJFCIUEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c1-12-3-2-4-16-18(12)15-6-5-14(11-17(15)20-16)13-7-9-19-10-8-13/h2-11H,1H3.
What are the key properties of 4-(9-methyldibenzothiophen-3-yl)pyridine?
4-(9-methyldibenzothiophen-3-yl)pyridine has a molecular weight of 275.38 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyldibenzothiophen-3-yl)pyridine is sourced from PubChem (CID 146397284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).