2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile

C24H9N5 — CID 118330680

IUPAC2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc2c3ccccc3c3cc(=C(C#N)C#N)c4cccc1c4n23
InChIInChI=1S/C24H9N5/c25-10-14(11-26)20-8-22-16-4-1-2-5-17(16)23-9-21(15(12-27)13-28)19-7-3-6-18(20)24(19)29(22)23/h1-9H
InChIKeyHKHLFVUROVDCOD-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.23
Rot. Bonds

About 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile

2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile (PubChem CID 118330680) has the molecular formula C24H9N5 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile
PubChem CID118330680
Molecular FormulaC24H9N5
Molecular Weight367.37 g/mol
Exact Mass367.09
IUPAC Name2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc2c3ccccc3c3cc(=C(C#N)C#N)c4cccc1c4n23
InChIInChI=1S/C24H9N5/c25-10-14(11-26)20-8-22-16-4-1-2-5-17(16)23-9-21(15(12-27)13-28)19-7-3-6-18(20)24(19)29(22)23/h1-9H
InChIKeyHKHLFVUROVDCOD-UHFFFAOYSA-N
XLogP3.23
TPSA99.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile?
The IUPAC name of 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile (CID 118330680) is 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile.
What is the SMILES notation for 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile?
The canonical SMILES for 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile is N#CC(C#N)=c1cc2c3ccccc3c3cc(=C(C#N)C#N)c4cccc1c4n23.
What is the InChIKey of 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile?
The InChIKey is HKHLFVUROVDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H9N5/c25-10-14(11-26)20-8-22-16-4-1-2-5-17(16)23-9-21(15(12-27)13-28)19-7-3-6-18(20)24(19)29(22)23/h1-9H.
What are the key properties of 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile?
2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile has a molecular weight of 367.37 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[16-(dicyanomethylidene)-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaen-10-ylidene]propanedinitrile is sourced from PubChem (CID 118330680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).