3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene

C20H21N — CID 171974442

IUPAC3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CC2CCCC1N2
InChIInChI=1S/C20H21N/c1-2-5-15(6-3-1)16-9-11-17(12-10-16)18-13-19-7-4-8-20(14-18)21-19/h1-3,5-6,9-13,19-21H,4,7-8,14H2
InChIKeyXHQZGWXDCNDQQY-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.65
Rot. Bonds2

About 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene

3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171974442) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171974442
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CC2CCCC1N2
InChIInChI=1S/C20H21N/c1-2-5-15(6-3-1)16-9-11-17(12-10-16)18-13-19-7-4-8-20(14-18)21-19/h1-3,5-6,9-13,19-21H,4,7-8,14H2
InChIKeyXHQZGWXDCNDQQY-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene (CID 171974442) is 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene is C1=C(c2ccc(-c3ccccc3)cc2)CC2CCCC1N2.
What is the InChIKey of 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is XHQZGWXDCNDQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-2-5-15(6-3-1)16-9-11-17(12-10-16)18-13-19-7-4-8-20(14-18)21-19/h1-3,5-6,9-13,19-21H,4,7-8,14H2.
What are the key properties of 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 275.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171974442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).