4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine

C29H23F2NO — CID 166574332

IUPAC4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
SMILESFc1cccc(F)c1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C29H23F2NO/c30-24-9-4-10-25(31)28(24)20-11-12-21-22-7-3-8-23(29(22)33-27(21)17-20)26-16-19(13-14-32-26)15-18-5-1-2-6-18/h3-4,7-14,16-18H,1-2,5-6,15H2
InChIKeyOKQQTYPOHRARIX-UHFFFAOYSA-N
MW439.51 g/mol
LogP8.33
Rot. Bonds4

About 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine

4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine (PubChem CID 166574332) has the molecular formula C29H23F2NO and a molecular weight of 439.51 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
PubChem CID166574332
Molecular FormulaC29H23F2NO
Molecular Weight439.51 g/mol
Exact Mass439.17
IUPAC Name4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
SMILESFc1cccc(F)c1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C29H23F2NO/c30-24-9-4-10-25(31)28(24)20-11-12-21-22-7-3-8-23(29(22)33-27(21)17-20)26-16-19(13-14-32-26)15-18-5-1-2-6-18/h3-4,7-14,16-18H,1-2,5-6,15H2
InChIKeyOKQQTYPOHRARIX-UHFFFAOYSA-N
XLogP8.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109
[6-(4-cyclohexylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
CID 166574330
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
5-[6-[4-(1-cyclohexylethyl)-2-pyridinyl]dibenzofuran-3-yl]-2,4,6-trimethylpyrimidine
CID 155610773
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
CID 170777206
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574736
4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577921
4-(cyclopentylmethyl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575064
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine (CID 166574332) is 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine is Fc1cccc(F)c1-c1ccc2c(c1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12.
What is the InChIKey of 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine?
The InChIKey is OKQQTYPOHRARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2NO/c30-24-9-4-10-25(31)28(24)20-11-12-21-22-7-3-8-23(29(22)33-27(21)17-20)26-16-19(13-14-32-26)15-18-5-1-2-6-18/h3-4,7-14,16-18H,1-2,5-6,15H2.
What are the key properties of 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine?
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine has a molecular weight of 439.51 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 166574332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).