(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene

C16H18N2 — CID 155387797

IUPAC(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene
SMILESC1=C2/N=C\C=C/N=C3\C2=C2CCC3CCCC1C2
InChIInChI=1S/C16H18N2/c1-3-11-9-13-6-5-12(4-1)16-15(13)14(10-11)17-7-2-8-18-16/h2,7-8,10-12H,1,3-6,9H2/b8-2-,17-7-,18-16-
InChIKeyFEQFOLLLVKPZOE-LVICZVFFSA-N
MW238.33 g/mol
LogP3.82
Rot. Bonds

About (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene

(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene (PubChem CID 155387797) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene
PubChem CID155387797
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene
SMILESC1=C2/N=C\C=C/N=C3\C2=C2CCC3CCCC1C2
InChIInChI=1S/C16H18N2/c1-3-11-9-13-6-5-12(4-1)16-15(13)14(10-11)17-7-2-8-18-16/h2,7-8,10-12H,1,3-6,9H2/b8-2-,17-7-,18-16-
InChIKeyFEQFOLLLVKPZOE-LVICZVFFSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene with MolForge

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Related Compounds

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CID 90183122
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Frequently Asked Questions

What is the IUPAC name of (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene?
The IUPAC name of (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene (CID 155387797) is (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene.
What is the SMILES notation for (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene?
The canonical SMILES for (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene is C1=C2/N=C\C=C/N=C3\C2=C2CCC3CCCC1C2.
What is the InChIKey of (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene?
The InChIKey is FEQFOLLLVKPZOE-LVICZVFFSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-11-9-13-6-5-12(4-1)16-15(13)14(10-11)17-7-2-8-18-16/h2,7-8,10-12H,1,3-6,9H2/b8-2-,17-7-,18-16-.
What are the key properties of (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene?
(5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene has a molecular weight of 238.33 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4,8-diazatetracyclo[9.6.1.02,9.03,15]octadeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 155387797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).