2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene

C16H12N2 — CID 154258634

IUPAC2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene
SMILESC1=CCN2C=c3cc4ccccc4cc3=NC2=C1
InChIInChI=1S/C16H12N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-18-8-4-3-7-16(18)17-15/h1-7,9-11H,8H2
InChIKeyMUHHKYSKRHDNBT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.92
Rot. Bonds

About 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene

2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene (PubChem CID 154258634) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene.

Molecular Properties

Compound Name2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene
PubChem CID154258634
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene
SMILESC1=CCN2C=c3cc4ccccc4cc3=NC2=C1
InChIInChI=1S/C16H12N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-18-8-4-3-7-16(18)17-15/h1-7,9-11H,8H2
InChIKeyMUHHKYSKRHDNBT-UHFFFAOYSA-N
XLogP1.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene with MolForge

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12,16,17-Triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
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Frequently Asked Questions

What is the IUPAC name of 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene?
The IUPAC name of 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene (CID 154258634) is 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene.
What is the SMILES notation for 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene?
The canonical SMILES for 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene is C1=CCN2C=c3cc4ccccc4cc3=NC2=C1.
What is the InChIKey of 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene?
The InChIKey is MUHHKYSKRHDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-18-8-4-3-7-16(18)17-15/h1-7,9-11H,8H2.
What are the key properties of 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene?
2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene has a molecular weight of 232.29 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,9,11,13,15,17-octaene is sourced from PubChem (CID 154258634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).