8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene

C26H23NO — CID 171968586

IUPAC8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3oc4ccccc4c3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C26H23NO/c1-2-6-18(7-3-1)17-27-21-11-12-22(27)15-20(14-21)19-10-13-26-24(16-19)23-8-4-5-9-25(23)28-26/h1-10,13-14,16,21-22H,11-12,15,17H2
InChIKeyFMLUZXXWRUEIAN-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.41
Rot. Bonds3

About 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171968586) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171968586
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3oc4ccccc4c3c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C26H23NO/c1-2-6-18(7-3-1)17-27-21-11-12-22(27)15-20(14-21)19-10-13-26-24(16-19)23-8-4-5-9-25(23)28-26/h1-10,13-14,16,21-22H,11-12,15,17H2
InChIKeyFMLUZXXWRUEIAN-UHFFFAOYSA-N
XLogP6.41
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene (CID 171968586) is 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccc3oc4ccccc4c3c2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is FMLUZXXWRUEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-2-6-18(7-3-1)17-27-21-11-12-22(27)15-20(14-21)19-10-13-26-24(16-19)23-8-4-5-9-25(23)28-26/h1-10,13-14,16,21-22H,11-12,15,17H2.
What are the key properties of 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 365.48 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171968586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).