2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine

C37H25NS — CID 121463376

IUPAC2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
SMILESCc1cc(-c2cccc3c2sc2ccccc23)ncc1-c1cc2c3ccccc3c3ccccc3c2cc1C
InChIInChI=1S/C37H25NS/c1-22-18-32-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33(32)20-31(22)34-21-38-35(19-23(34)2)30-16-9-15-29-28-14-7-8-17-36(28)39-37(29)30/h3-21H,1-2H3
InChIKeyDOAJLBZMODRGAL-UHFFFAOYSA-N
MW515.68 g/mol
LogP10.86
Rot. Bonds2

About 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine

2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine (PubChem CID 121463376) has the molecular formula C37H25NS and a molecular weight of 515.68 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
PubChem CID121463376
Molecular FormulaC37H25NS
Molecular Weight515.68 g/mol
Exact Mass515.17
IUPAC Name2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
SMILESCc1cc(-c2cccc3c2sc2ccccc23)ncc1-c1cc2c3ccccc3c3ccccc3c2cc1C
InChIInChI=1S/C37H25NS/c1-22-18-32-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33(32)20-31(22)34-21-38-35(19-23(34)2)30-16-9-15-29-28-14-7-8-17-36(28)39-37(29)30/h3-21H,1-2H3
InChIKeyDOAJLBZMODRGAL-UHFFFAOYSA-N
XLogP10.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
2-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyridine
CID 89369534
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
CID 162708578
2,9-bis(4-dibenzothiophen-4-ylphenyl)-4,7-dimethyl-1,10-phenanthroline
CID 90050277
4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078247
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
CID 166577945

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine (CID 121463376) is 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine is Cc1cc(-c2cccc3c2sc2ccccc23)ncc1-c1cc2c3ccccc3c3ccccc3c2cc1C.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine?
The InChIKey is DOAJLBZMODRGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NS/c1-22-18-32-26-12-5-3-10-24(26)25-11-4-6-13-27(25)33(32)20-31(22)34-21-38-35(19-23(34)2)30-16-9-15-29-28-14-7-8-17-36(28)39-37(29)30/h3-21H,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine?
2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine has a molecular weight of 515.68 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine is sourced from PubChem (CID 121463376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).