4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile

C14F4N8 — CID 70451314

IUPAC4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)c1c(F)nc(F)nc1c1nc(F)nc(F)c12
InChIInChI=1S/C14F4N8/c15-11-5-7-8(22-4(2-20)3(1-19)21-7)6-10(9(5)23-13(17)25-11)24-14(18)26-12(6)16
InChIKeyPCZVMCWREDBQFW-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.82
Rot. Bonds

About 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile

4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile (PubChem CID 70451314) has the molecular formula C14F4N8 and a molecular weight of 356.20 g/mol. Its IUPAC name is 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile.

Molecular Properties

Compound Name4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile
PubChem CID70451314
Molecular FormulaC14F4N8
Molecular Weight356.20 g/mol
Exact Mass356.02
IUPAC Name4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)c1c(F)nc(F)nc1c1nc(F)nc(F)c12
InChIInChI=1S/C14F4N8/c15-11-5-7-8(22-4(2-20)3(1-19)21-7)6-10(9(5)23-13(17)25-11)24-14(18)26-12(6)16
InChIKeyPCZVMCWREDBQFW-UHFFFAOYSA-N
XLogP1.82
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile?
The IUPAC name of 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile (CID 70451314) is 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile.
What is the SMILES notation for 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile?
The canonical SMILES for 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile is N#Cc1nc2c(nc1C#N)c1c(F)nc(F)nc1c1nc(F)nc(F)c12.
What is the InChIKey of 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile?
The InChIKey is PCZVMCWREDBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F4N8/c15-11-5-7-8(22-4(2-20)3(1-19)21-7)6-10(9(5)23-13(17)25-11)24-14(18)26-12(6)16.
What are the key properties of 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile?
4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile has a molecular weight of 356.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,15,17-tetrafluoro-3,5,9,12,16,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaene-10,11-dicarbonitrile is sourced from PubChem (CID 70451314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).