8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C15H12N2 — CID 151112967

IUPAC8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1cccc2[nH]c3ccccc3c2cncc1
InChIInChI=1S/C15H12N2/c1-2-6-10-16-11-13-12-7-4-5-9-14(12)17-15(13)8-3-1/h1-11,17H/b2-1-,3-1+,6-2-,8-3+,10-6-,13-11-,15-8+,16-10+,16-11+
InChIKeyFAXAUQCMSBOIFV-WCZFNEDZSA-N
MW220.28 g/mol
LogP3.84
Rot. Bonds

About 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 151112967) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID151112967
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1cccc2[nH]c3ccccc3c2cncc1
InChIInChI=1S/C15H12N2/c1-2-6-10-16-11-13-12-7-4-5-9-14(12)17-15(13)8-3-1/h1-11,17H/b2-1-,3-1+,6-2-,8-3+,10-6-,13-11-,15-8+,16-10+,16-11+
InChIKeyFAXAUQCMSBOIFV-WCZFNEDZSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 151112967) is 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is c1cccc2[nH]c3ccccc3c2cncc1.
What is the InChIKey of 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is FAXAUQCMSBOIFV-WCZFNEDZSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-6-10-16-11-13-12-7-4-5-9-14(12)17-15(13)8-3-1/h1-11,17H/b2-1-,3-1+,6-2-,8-3+,10-6-,13-11-,15-8+,16-10+,16-11+.
What are the key properties of 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 220.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 151112967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).