1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine

C24H23NO — CID 171576802

IUPAC1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3c2CCC3)c2oc3ccccc3c12
InChIInChI=1S/C24H23NO/c1-24(2,3)19-12-11-18(22-16-9-6-7-15(16)13-14-25-22)23-21(19)17-8-4-5-10-20(17)26-23/h4-5,8,10-14H,6-7,9H2,1-3H3
InChIKeyPNPGPYOEGMKZJE-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.43
Rot. Bonds1

About 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine

1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 171576802) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID171576802
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3c2CCC3)c2oc3ccccc3c12
InChIInChI=1S/C24H23NO/c1-24(2,3)19-12-11-18(22-16-9-6-7-15(16)13-14-25-22)23-21(19)17-8-4-5-10-20(17)26-23/h4-5,8,10-14H,6-7,9H2,1-3H3
InChIKeyPNPGPYOEGMKZJE-UHFFFAOYSA-N
XLogP6.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 171576802) is 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is CC(C)(C)c1ccc(-c2nccc3c2CCC3)c2oc3ccccc3c12.
What is the InChIKey of 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is PNPGPYOEGMKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-24(2,3)19-12-11-18(22-16-9-6-7-15(16)13-14-25-22)23-21(19)17-8-4-5-10-20(17)26-23/h4-5,8,10-14H,6-7,9H2,1-3H3.
What are the key properties of 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 341.45 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 171576802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).