7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene

C16H11N — CID 126521764

IUPAC7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene
SMILESC1=CC2=c3cccc4c3=C(C=CN=C4)CC2=C1
InChIInChI=1S/C16H11N/c1-3-11-9-12-7-8-17-10-13-4-2-6-15(16(12)13)14(11)5-1/h1-8,10H,9H2
InChIKeyKOQMVRQOELBLSB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds

About 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene

7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene (PubChem CID 126521764) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene.

Molecular Properties

Compound Name7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene
PubChem CID126521764
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene
SMILESC1=CC2=c3cccc4c3=C(C=CN=C4)CC2=C1
InChIInChI=1S/C16H11N/c1-3-11-9-12-7-8-17-10-13-4-2-6-15(16(12)13)14(11)5-1/h1-8,10H,9H2
InChIKeyKOQMVRQOELBLSB-UHFFFAOYSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene?
The IUPAC name of 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene (CID 126521764) is 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene.
What is the SMILES notation for 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene?
The canonical SMILES for 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene is C1=CC2=c3cccc4c3=C(C=CN=C4)CC2=C1.
What is the InChIKey of 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene?
The InChIKey is KOQMVRQOELBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-3-11-9-12-7-8-17-10-13-4-2-6-15(16(12)13)14(11)5-1/h1-8,10H,9H2.
What are the key properties of 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene?
7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene has a molecular weight of 217.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatetracyclo[8.6.1.05,17.012,16]heptadeca-1(16),2,4,6,8,10(17),12,14-octaene is sourced from PubChem (CID 126521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).