1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C14H12N2 — CID 610416

IUPAC1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)N1CCN2c2ccccc21
InChIInChI=1S/C14H12N2/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyHEUMDYLTBLELPS-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.29
Rot. Bonds

About 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 610416) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID610416
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)N1CCN2c2ccccc21
InChIInChI=1S/C14H12N2/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyHEUMDYLTBLELPS-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 610416) is 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is c1ccc2c(c1)N1CCN2c2ccccc21.
What is the InChIKey of 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is HEUMDYLTBLELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-12-11(5-1)15-9-10-16(12)14-8-4-3-7-13(14)15/h1-8H,9-10H2.
What are the key properties of 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 208.26 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 610416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).