2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine

C26H20FNS — CID 164711664

IUPAC2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3ccc(F)c4c3sc3ccccc34)c2)c(C)c1
InChIInChI=1S/C26H20FNS/c1-15-12-16(2)24(17(3)13-15)18-10-11-28-22(14-18)19-8-9-21(27)25-20-6-4-5-7-23(20)29-26(19)25/h4-14H,1-3H3
InChIKeyDYNZFLOYDKTNDC-UHFFFAOYSA-N
MW397.52 g/mol
LogP7.85
Rot. Bonds2

About 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine

2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine (PubChem CID 164711664) has the molecular formula C26H20FNS and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine
PubChem CID164711664
Molecular FormulaC26H20FNS
Molecular Weight397.52 g/mol
Exact Mass397.13
IUPAC Name2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3ccc(F)c4c3sc3ccccc34)c2)c(C)c1
InChIInChI=1S/C26H20FNS/c1-15-12-16(2)24(17(3)13-15)18-10-11-28-22(14-18)19-8-9-21(27)25-20-6-4-5-7-23(20)29-26(19)25/h4-14H,1-3H3
InChIKeyDYNZFLOYDKTNDC-UHFFFAOYSA-N
XLogP7.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427
N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11623756
rac-N,N-dimethyl-2-(3-(1-(pyridin-4-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11638166
(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11659592

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine (CID 164711664) is 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine is Cc1cc(C)c(-c2ccnc(-c3ccc(F)c4c3sc3ccccc34)c2)c(C)c1.
What is the InChIKey of 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine?
The InChIKey is DYNZFLOYDKTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNS/c1-15-12-16(2)24(17(3)13-15)18-10-11-28-22(14-18)19-8-9-21(27)25-20-6-4-5-7-23(20)29-26(19)25/h4-14H,1-3H3.
What are the key properties of 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine?
2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine has a molecular weight of 397.52 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorodibenzothiophen-4-yl)-4-(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 164711664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).