3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile

C24N10 — CID 129206094

IUPAC3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile
SMILESN#CC(C#N)=C1C(C#N)=C(C#N)c2c(C#N)c3c(c(C#N)c21)C(=C(C#N)C#N)C(C#N)=C3C#N
InChIInChI=1S/C24N10/c25-1-11(2-26)19-13(5-29)15(7-31)21-17(9-33)22-16(8-32)14(6-30)20(12(3-27)4-28)24(22)18(10-34)23(19)21
InChIKeyLCSFVKVGCNPUHQ-UHFFFAOYSA-N
MW428.33 g/mol
LogP2.66
Rot. Bonds

About 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile

3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile (PubChem CID 129206094) has the molecular formula C24N10 and a molecular weight of 428.33 g/mol. Its IUPAC name is 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile.

Molecular Properties

Compound Name3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile
PubChem CID129206094
Molecular FormulaC24N10
Molecular Weight428.33 g/mol
Exact Mass428.03
IUPAC Name3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile
SMILESN#CC(C#N)=C1C(C#N)=C(C#N)c2c(C#N)c3c(c(C#N)c21)C(=C(C#N)C#N)C(C#N)=C3C#N
InChIInChI=1S/C24N10/c25-1-11(2-26)19-13(5-29)15(7-31)21-17(9-33)22-16(8-32)14(6-30)20(12(3-27)4-28)24(22)18(10-34)23(19)21
InChIKeyLCSFVKVGCNPUHQ-UHFFFAOYSA-N
XLogP2.66
TPSA237.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile?
The IUPAC name of 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile (CID 129206094) is 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile.
What is the SMILES notation for 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile?
The canonical SMILES for 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile is N#CC(C#N)=C1C(C#N)=C(C#N)c2c(C#N)c3c(c(C#N)c21)C(=C(C#N)C#N)C(C#N)=C3C#N.
What is the InChIKey of 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile?
The InChIKey is LCSFVKVGCNPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24N10/c25-1-11(2-26)19-13(5-29)15(7-31)21-17(9-33)22-16(8-32)14(6-30)20(12(3-27)4-28)24(22)18(10-34)23(19)21.
What are the key properties of 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile?
3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile has a molecular weight of 428.33 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(dicyanomethylidene)-s-indacene-1,2,4,6,7,8-hexacarbonitrile is sourced from PubChem (CID 129206094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).