4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine

C30H25F2NS — CID 166574736

IUPAC4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESFc1ccc(F)c(-c2ccc3c(c2)sc2c(-c4cc(CC5CCCCC5)ccn4)cccc23)c1
InChIInChI=1S/C30H25F2NS/c31-22-10-12-27(32)26(18-22)21-9-11-23-24-7-4-8-25(30(24)34-29(23)17-21)28-16-20(13-14-33-28)15-19-5-2-1-3-6-19/h4,7-14,16-19H,1-3,5-6,15H2
InChIKeyIPPRISULXWMULD-UHFFFAOYSA-N
MW469.60 g/mol
LogP9.18
Rot. Bonds4

About 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine

4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine (PubChem CID 166574736) has the molecular formula C30H25F2NS and a molecular weight of 469.60 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
PubChem CID166574736
Molecular FormulaC30H25F2NS
Molecular Weight469.60 g/mol
Exact Mass469.17
IUPAC Name4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
SMILESFc1ccc(F)c(-c2ccc3c(c2)sc2c(-c4cc(CC5CCCCC5)ccn4)cccc23)c1
InChIInChI=1S/C30H25F2NS/c31-22-10-12-27(32)26(18-22)21-9-11-23-24-7-4-8-25(30(24)34-29(23)17-21)28-16-20(13-14-33-28)15-19-5-2-1-3-6-19/h4,7-14,16-19H,1-3,5-6,15H2
InChIKeyIPPRISULXWMULD-UHFFFAOYSA-N
XLogP9.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577959
4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166573593
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727
4-[cyclobutyl(dideuterio)methyl]-2-(8-methylnaphtho[2,3-b][1]benzothiol-4-yl)pyridine
CID 165170635
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166576463
4-(cyclohexylmethyl)-2-[9-(2,3-dimethylphenyl)dibenzothiophen-2-yl]pyridine
CID 166573288
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
4-(cyclohexylmethyl)-2-[8-(3-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166576006
2-(cyclohexylmethyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 145093982

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine?
The IUPAC name of 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine (CID 166574736) is 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine?
The canonical SMILES for 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine is Fc1ccc(F)c(-c2ccc3c(c2)sc2c(-c4cc(CC5CCCCC5)ccn4)cccc23)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine?
The InChIKey is IPPRISULXWMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2NS/c31-22-10-12-27(32)26(18-22)21-9-11-23-24-7-4-8-25(30(24)34-29(23)17-21)28-16-20(13-14-33-28)15-19-5-2-1-3-6-19/h4,7-14,16-19H,1-3,5-6,15H2.
What are the key properties of 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine?
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine has a molecular weight of 469.60 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine is sourced from PubChem (CID 166574736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).