11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene

C13H9N — CID 87271350

IUPAC11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene
SMILESC1=CC2=CC=C3N=CC4=CC43C2C=C1
InChIInChI=1S/C13H9N/c1-2-4-11-9(3-1)5-6-12-13(11)7-10(13)8-14-12/h1-8,11H
InChIKeyQPAOOJODVFNOIN-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.56
Rot. Bonds

About 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene

11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene (PubChem CID 87271350) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene.

Molecular Properties

Compound Name11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene
PubChem CID87271350
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Name11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene
SMILESC1=CC2=CC=C3N=CC4=CC43C2C=C1
InChIInChI=1S/C13H9N/c1-2-4-11-9(3-1)5-6-12-13(11)7-10(13)8-14-12/h1-8,11H
InChIKeyQPAOOJODVFNOIN-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The IUPAC name of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene (CID 87271350) is 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene.
What is the SMILES notation for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The canonical SMILES for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene is C1=CC2=CC=C3N=CC4=CC43C2C=C1.
What is the InChIKey of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene?
The InChIKey is QPAOOJODVFNOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-4-11-9(3-1)5-6-12-13(11)7-10(13)8-14-12/h1-8,11H.
What are the key properties of 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene?
11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene has a molecular weight of 179.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-3,5,7,9,11,13-hexaene is sourced from PubChem (CID 87271350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).