(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene

C16H14N2 — CID 164576957

IUPAC(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene
SMILESC1=C\C=C/N2C/C=C\N=c3\cccc\c3=C2\C=C/1
InChIInChI=1S/C16H14N2/c1-2-6-12-18-13-7-11-17-15-9-5-4-8-14(15)16(18)10-3-1/h1-12H,13H2/b2-1-,10-3-,11-7-,12-6-,16-14-,17-15-
InChIKeyJIKHIWLYYZIBBR-PZTOFOQKSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds

About (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene

(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene (PubChem CID 164576957) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene.

Molecular Properties

Compound Name(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene
PubChem CID164576957
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene
SMILESC1=C\C=C/N2C/C=C\N=c3\cccc\c3=C2\C=C/1
InChIInChI=1S/C16H14N2/c1-2-6-12-18-13-7-11-17-15-9-5-4-8-14(15)16(18)10-3-1/h1-12H,13H2/b2-1-,10-3-,11-7-,12-6-,16-14-,17-15-
InChIKeyJIKHIWLYYZIBBR-PZTOFOQKSA-N
XLogP1.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene?
The IUPAC name of (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene (CID 164576957) is (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene.
What is the SMILES notation for (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene?
The canonical SMILES for (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene is C1=C\C=C/N2C/C=C\N=c3\cccc\c3=C2\C=C/1.
What is the InChIKey of (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene?
The InChIKey is JIKHIWLYYZIBBR-PZTOFOQKSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-12-18-13-7-11-17-15-9-5-4-8-14(15)16(18)10-3-1/h1-12H,13H2/b2-1-,10-3-,11-7-,12-6-,16-14-,17-15-.
What are the key properties of (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene?
(1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene has a molecular weight of 234.30 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z,13Z,15Z,17Z)-8,12-diazatricyclo[10.6.0.02,7]octadeca-1,3,5,7,9,13,15,17-octaene is sourced from PubChem (CID 164576957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).