2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine

C28H24FNS — CID 166577015

IUPAC2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
SMILESCC(C)C(C)c1ccnc(-c2ccc3sc4cc(-c5ccc(F)cc5)ccc4c3c2)c1
InChIInChI=1S/C28H24FNS/c1-17(2)18(3)20-12-13-30-26(15-20)22-7-11-27-25(14-22)24-10-6-21(16-28(24)31-27)19-4-8-23(29)9-5-19/h4-18H,1-3H3
InChIKeyVOKHCGJHRSIYIZ-UHFFFAOYSA-N
MW425.57 g/mol
LogP8.68
Rot. Bonds4

About 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine

2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine (PubChem CID 166577015) has the molecular formula C28H24FNS and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
PubChem CID166577015
Molecular FormulaC28H24FNS
Molecular Weight425.57 g/mol
Exact Mass425.16
IUPAC Name2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
SMILESCC(C)C(C)c1ccnc(-c2ccc3sc4cc(-c5ccc(F)cc5)ccc4c3c2)c1
InChIInChI=1S/C28H24FNS/c1-17(2)18(3)20-12-13-30-26(15-20)22-7-11-27-25(14-22)24-10-6-21(16-28(24)31-27)19-4-8-23(29)9-5-19/h4-18H,1-3H3
InChIKeyVOKHCGJHRSIYIZ-UHFFFAOYSA-N
XLogP8.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
trimethyl-[8-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-2-yl]germane
CID 164832484
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
CID 166575809
4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
CID 162709786
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine?
The IUPAC name of 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine (CID 166577015) is 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine?
The canonical SMILES for 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine is CC(C)C(C)c1ccnc(-c2ccc3sc4cc(-c5ccc(F)cc5)ccc4c3c2)c1.
What is the InChIKey of 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine?
The InChIKey is VOKHCGJHRSIYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNS/c1-17(2)18(3)20-12-13-30-26(15-20)22-7-11-27-25(14-22)24-10-6-21(16-28(24)31-27)19-4-8-23(29)9-5-19/h4-18H,1-3H3.
What are the key properties of 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine?
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine has a molecular weight of 425.57 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 166577015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).