4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine

C28H25NS — CID 166574741

IUPAC4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C28H25NS/c1-28(2,3)18-19-14-15-29-25(16-19)23-11-7-10-22-24-17-21(20-8-5-4-6-9-20)12-13-26(24)30-27(22)23/h4-17H,18H2,1-3H3
InChIKeyZDNYPLJRVUZYJA-UHFFFAOYSA-N
MW407.58 g/mol
LogP8.37
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine

4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine (PubChem CID 166574741) has the molecular formula C28H25NS and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
PubChem CID166574741
Molecular FormulaC28H25NS
Molecular Weight407.58 g/mol
Exact Mass407.17
IUPAC Name4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C28H25NS/c1-28(2,3)18-19-14-15-29-25(16-19)23-11-7-10-22-24-17-21(20-8-5-4-6-9-20)12-13-26(24)30-27(22)23/h4-17H,18H2,1-3H3
InChIKeyZDNYPLJRVUZYJA-UHFFFAOYSA-N
XLogP8.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
4-(2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574875
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline
CID 166574367
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159445296

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine (CID 166574741) is 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine is CC(C)(C)Cc1ccnc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)c1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine?
The InChIKey is ZDNYPLJRVUZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NS/c1-28(2,3)18-19-14-15-29-25(16-19)23-11-7-10-22-24-17-21(20-8-5-4-6-9-20)12-13-26(24)30-27(22)23/h4-17H,18H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine?
4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine has a molecular weight of 407.58 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine is sourced from PubChem (CID 166574741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).