7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene

C15H10N2 — CID 87536144

IUPAC7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=CC2=NC=CC3=c4ccccc4=NC23C=C1
InChIInChI=1S/C15H10N2/c1-2-6-13-11(5-1)12-8-10-16-14-7-3-4-9-15(12,14)17-13/h1-10H
InChIKeyUIOSEEDXKWMAHJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.30
Rot. Bonds

About 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene

7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene (PubChem CID 87536144) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene.

Molecular Properties

Compound Name7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene
PubChem CID87536144
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=CC2=NC=CC3=c4ccccc4=NC23C=C1
InChIInChI=1S/C15H10N2/c1-2-6-13-11(5-1)12-8-10-16-14-7-3-4-9-15(12,14)17-13/h1-10H
InChIKeyUIOSEEDXKWMAHJ-UHFFFAOYSA-N
XLogP1.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene?
The IUPAC name of 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene (CID 87536144) is 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene.
What is the SMILES notation for 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene?
The canonical SMILES for 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene is C1=CC2=NC=CC3=c4ccccc4=NC23C=C1.
What is the InChIKey of 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene?
The InChIKey is UIOSEEDXKWMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-6-13-11(5-1)12-8-10-16-14-7-3-4-9-15(12,14)17-13/h1-10H.
What are the key properties of 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene?
7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene has a molecular weight of 218.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene is sourced from PubChem (CID 87536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).