14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene

C16H18N2 — CID 90003823

IUPAC14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene
SMILESC1=NN=c2cc3c(cc21)=C1CCCCC1CCC3
InChIInChI=1S/C16H18N2/c1-2-7-14-11(4-1)5-3-6-12-9-16-13(8-15(12)14)10-17-18-16/h8-11H,1-7H2
InChIKeyJDUNJORQGSXRNB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.33
Rot. Bonds

About 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene

14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene (PubChem CID 90003823) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene.

Molecular Properties

Compound Name14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene
PubChem CID90003823
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene
SMILESC1=NN=c2cc3c(cc21)=C1CCCCC1CCC3
InChIInChI=1S/C16H18N2/c1-2-7-14-11(4-1)5-3-6-12-9-16-13(8-15(12)14)10-17-18-16/h8-11H,1-7H2
InChIKeyJDUNJORQGSXRNB-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene?
The IUPAC name of 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene (CID 90003823) is 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene.
What is the SMILES notation for 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene?
The canonical SMILES for 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene is C1=NN=c2cc3c(cc21)=C1CCCCC1CCC3.
What is the InChIKey of 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene?
The InChIKey is JDUNJORQGSXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-7-14-11(4-1)5-3-6-12-9-16-13(8-15(12)14)10-17-18-16/h8-11H,1-7H2.
What are the key properties of 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene?
14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene has a molecular weight of 238.33 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1,11,13,15,17-pentaene is sourced from PubChem (CID 90003823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).