11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile

C16H6N4 — CID 620235

IUPAC11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cccc3cccc-2c13
InChIInChI=1S/C16H6N4/c17-7-12-13(8-18)20-16-11-6-2-4-9-3-1-5-10(14(9)11)15(16)19-12/h1-6H
InChIKeyYAFHDWVQFZPDNN-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.02
Rot. Bonds

About 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile

11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile (PubChem CID 620235) has the molecular formula C16H6N4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
PubChem CID620235
Molecular FormulaC16H6N4
Molecular Weight254.25 g/mol
Exact Mass254.06
IUPAC Name11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1cccc3cccc-2c13
InChIInChI=1S/C16H6N4/c17-7-12-13(8-18)20-16-11-6-2-4-9-3-1-5-10(14(9)11)15(16)19-12/h1-6H
InChIKeyYAFHDWVQFZPDNN-UHFFFAOYSA-N
XLogP3.02
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile with MolForge

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Related Compounds

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DUBs-IN-3
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9-Ethyloxyimino-9h-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230796
9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 155523332
5-(Dicyanomethylene)indeno[2,3-b]pyrazine-2,3-dicarbonitrile
CID 948444
Acenaphtho[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
Acenaphtho[1,2-b]pyrazine
CID 164565
3-[2-(Dimethylamino)ethylamino]acenaphtho[1,2-b]pyrazine-8,9-dicarbonitrile
CID 135858187
2,12-Diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 11032495
3-Bromoacenaphtho[1,2-b]pyrazine-8,9-dicarbonitrile
CID 66486828

Frequently Asked Questions

What is the IUPAC name of 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The IUPAC name of 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile (CID 620235) is 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile.
What is the SMILES notation for 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The canonical SMILES for 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1cccc3cccc-2c13.
What is the InChIKey of 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
The InChIKey is YAFHDWVQFZPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6N4/c17-7-12-13(8-18)20-16-11-6-2-4-9-3-1-5-10(14(9)11)15(16)19-12/h1-6H.
What are the key properties of 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile?
11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile has a molecular weight of 254.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene-12,13-dicarbonitrile is sourced from PubChem (CID 620235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).