9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene

C17H12N2 — CID 54254997

IUPAC9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene
SMILESC1=CC2=CC=C3N=c4ccccc4=C3C=CN2C=C1
InChIInChI=1S/C17H12N2/c1-2-7-16-14(6-1)15-10-12-19-11-4-3-5-13(19)8-9-17(15)18-16/h1-12H
InChIKeyQZJXNDFZTGJXND-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.15
Rot. Bonds

About 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene

9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene (PubChem CID 54254997) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene
PubChem CID54254997
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene
SMILESC1=CC2=CC=C3N=c4ccccc4=C3C=CN2C=C1
InChIInChI=1S/C17H12N2/c1-2-7-16-14(6-1)15-10-12-19-11-4-3-5-13(19)8-9-17(15)18-16/h1-12H
InChIKeyQZJXNDFZTGJXND-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene?
The IUPAC name of 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene (CID 54254997) is 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene.
What is the SMILES notation for 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene?
The canonical SMILES for 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene is C1=CC2=CC=C3N=c4ccccc4=C3C=CN2C=C1.
What is the InChIKey of 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene?
The InChIKey is QZJXNDFZTGJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-7-16-14(6-1)15-10-12-19-11-4-3-5-13(19)8-9-17(15)18-16/h1-12H.
What are the key properties of 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene?
9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene has a molecular weight of 244.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 54254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).