6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene

C15H9N — CID 9132

IUPAC6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene
SMILESc1cc2ccc3cncc4ccc(c1)c2c34
InChIInChI=1S/C15H9N/c1-2-10-4-6-12-8-16-9-13-7-5-11(3-1)14(10)15(12)13/h1-9H
InChIKeyVXNBYQYOFXSMOE-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.98
Rot. Bonds

About 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene

6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene (PubChem CID 9132) has the molecular formula C15H9N and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene.

Molecular Properties

Compound Name6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene
PubChem CID9132
Molecular FormulaC15H9N
Molecular Weight203.24 g/mol
Exact Mass203.07
IUPAC Name6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene
SMILESc1cc2ccc3cncc4ccc(c1)c2c34
InChIInChI=1S/C15H9N/c1-2-10-4-6-12-8-16-9-13-7-5-11(3-1)14(10)15(12)13/h1-9H
InChIKeyVXNBYQYOFXSMOE-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene?
The IUPAC name of 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene (CID 9132) is 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene.
What is the SMILES notation for 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene?
The canonical SMILES for 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene is c1cc2ccc3cncc4ccc(c1)c2c34.
What is the InChIKey of 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene?
The InChIKey is VXNBYQYOFXSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N/c1-2-10-4-6-12-8-16-9-13-7-5-11(3-1)14(10)15(12)13/h1-9H.
What are the key properties of 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene?
6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene has a molecular weight of 203.24 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene is sourced from PubChem (CID 9132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).