4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine

C27H23NS — CID 166574277

IUPAC4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H23NS/c1-27(2,3)20-14-15-28-24(17-20)19-12-13-22-23-11-7-10-21(18-8-5-4-6-9-18)26(23)29-25(22)16-19/h4-17H,1-3H3
InChIKeyDLWAJFIJFPVKRJ-UHFFFAOYSA-N
MW393.56 g/mol
LogP8.08
Rot. Bonds2

About 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine

4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine (PubChem CID 166574277) has the molecular formula C27H23NS and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
PubChem CID166574277
Molecular FormulaC27H23NS
Molecular Weight393.56 g/mol
Exact Mass393.16
IUPAC Name4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H23NS/c1-27(2,3)20-14-15-28-24(17-20)19-12-13-22-23-11-7-10-21(18-8-5-4-6-9-18)26(23)29-25(22)16-19/h4-17H,1-3H3
InChIKeyDLWAJFIJFPVKRJ-UHFFFAOYSA-N
XLogP8.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166573593
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
1-(6-phenyldibenzothiophen-3-yl)isoquinoline-6-carbonitrile
CID 172523599
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine (CID 166574277) is 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine is CC(C)(C)c1ccnc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)c1.
What is the InChIKey of 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine?
The InChIKey is DLWAJFIJFPVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NS/c1-27(2,3)20-14-15-28-24(17-20)19-12-13-22-23-11-7-10-21(18-8-5-4-6-9-18)26(23)29-25(22)16-19/h4-17H,1-3H3.
What are the key properties of 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine?
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine has a molecular weight of 393.56 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine is sourced from PubChem (CID 166574277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).