2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine

C26H21NS — CID 162708578

IUPAC2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccc(-c2cccc3c2sc2ccccc23)nc1
InChIInChI=1S/C26H21NS/c1-26(2,18-9-4-3-5-10-18)19-15-16-23(27-17-19)22-13-8-12-21-20-11-6-7-14-24(20)28-25(21)22/h3-17H,1-2H3
InChIKeyVWQHOIKZYQHJPZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP7.44
Rot. Bonds3

About 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine

2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine (PubChem CID 162708578) has the molecular formula C26H21NS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
PubChem CID162708578
Molecular FormulaC26H21NS
Molecular Weight379.53 g/mol
Exact Mass379.14
IUPAC Name2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine
SMILESCC(C)(c1ccccc1)c1ccc(-c2cccc3c2sc2ccccc23)nc1
InChIInChI=1S/C26H21NS/c1-26(2,18-9-4-3-5-10-18)19-15-16-23(27-17-19)22-13-8-12-21-20-11-6-7-14-24(20)28-25(21)22/h3-17H,1-2H3
InChIKeyVWQHOIKZYQHJPZ-UHFFFAOYSA-N
XLogP7.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-5-(2-phenylpropan-2-yl)pyridine
CID 162707212
2-(3H-dibenzothiophen-3-id-4-yl)-5-(2-phenylpropan-2-yl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162709310
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
5-tert-butyl-2-(6,7,8,9-tetrahydrodibenzothiophen-4-yl)pyridine
CID 170518873
2-(3H-dibenzothiophen-3-id-4-yl)-5-(2-phenylpropan-2-yl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 162708577
2-[4-[3-[5-(2-phenylpropan-2-yl)-2-pyridinyl]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 164742445
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
CID 121463376
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene
CID 146578977
2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294144
trimethyl-[6-(5-methyl-2-pyridinyl)dibenzothiophen-1-yl]silane
CID 155608480

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine (CID 162708578) is 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine is CC(C)(c1ccccc1)c1ccc(-c2cccc3c2sc2ccccc23)nc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine?
The InChIKey is VWQHOIKZYQHJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NS/c1-26(2,18-9-4-3-5-10-18)19-15-16-23(27-17-19)22-13-8-12-21-20-11-6-7-14-24(20)28-25(21)22/h3-17H,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine?
2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine has a molecular weight of 379.53 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 162708578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).