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

C31H28FNS — CID 166573593

IUPAC4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESCC(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccccc4F)ccc23)c1)C1CCCC1
InChIInChI=1S/C31H28FNS/c1-31(2,21-8-3-4-9-21)22-16-17-33-28(19-22)26-12-7-11-25-24-15-14-20(18-29(24)34-30(25)26)23-10-5-6-13-27(23)32/h5-7,10-19,21H,3-4,8-9H2,1-2H3
InChIKeyWAKRDIVIQGJCIF-UHFFFAOYSA-N
MW465.64 g/mol
LogP9.39
Rot. Bonds4

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

4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine (PubChem CID 166573593) has the molecular formula C31H28FNS and a molecular weight of 465.64 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
PubChem CID166573593
Molecular FormulaC31H28FNS
Molecular Weight465.64 g/mol
Exact Mass465.19
IUPAC Name4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESCC(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccccc4F)ccc23)c1)C1CCCC1
InChIInChI=1S/C31H28FNS/c1-31(2,21-8-3-4-9-21)22-16-17-33-28(19-22)26-12-7-11-25-24-15-14-20(18-29(24)34-30(25)26)23-10-5-6-13-27(23)32/h5-7,10-19,21H,3-4,8-9H2,1-2H3
InChIKeyWAKRDIVIQGJCIF-UHFFFAOYSA-N
XLogP9.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573768
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574736
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
CID 166575809
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine (CID 166573593) is 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine is CC(C)(c1ccnc(-c2cccc3c2sc2cc(-c4ccccc4F)ccc23)c1)C1CCCC1.
What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is WAKRDIVIQGJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FNS/c1-31(2,21-8-3-4-9-21)22-16-17-33-28(19-22)26-12-7-11-25-24-15-14-20(18-29(24)34-30(25)26)23-10-5-6-13-27(23)32/h5-7,10-19,21H,3-4,8-9H2,1-2H3.
What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine?
4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 465.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 166573593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).