(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

C17H15N — CID 142821229

IUPAC(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=C2/C=C\C/C=C\C(=NC(c3ccccc3)=C1)C2
InChIInChI=1S/C17H15N/c1-3-7-14-11-12-17(15-8-4-2-5-9-15)18-16(13-14)10-6-1/h2-12H,1,13H2/b7-3-,10-6-
InChIKeyXPJNBRHAWZCJFL-XOGRUQSTSA-N
MW233.31 g/mol
LogP4.31
Rot. Bonds1

About (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (PubChem CID 142821229) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.

Molecular Properties

Compound Name(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
PubChem CID142821229
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=C2/C=C\C/C=C\C(=NC(c3ccccc3)=C1)C2
InChIInChI=1S/C17H15N/c1-3-7-14-11-12-17(15-8-4-2-5-9-15)18-16(13-14)10-6-1/h2-12H,1,13H2/b7-3-,10-6-
InChIKeyXPJNBRHAWZCJFL-XOGRUQSTSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The IUPAC name of (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (CID 142821229) is (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.
What is the SMILES notation for (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The canonical SMILES for (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is C1=C2/C=C\C/C=C\C(=NC(c3ccccc3)=C1)C2.
What is the InChIKey of (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The InChIKey is XPJNBRHAWZCJFL-XOGRUQSTSA-N. The full InChI is InChI=1S/C17H15N/c1-3-7-14-11-12-17(15-8-4-2-5-9-15)18-16(13-14)10-6-1/h2-12H,1,13H2/b7-3-,10-6-.
What are the key properties of (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
(2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene has a molecular weight of 233.31 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-9-phenyl-8-azabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is sourced from PubChem (CID 142821229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).