2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile

C19H16N6 — CID 71443433

IUPAC2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile
SMILESCCN(CC)c1ccc(/N=N/c2c(C#N)cc(C#N)cc2C#N)cc1
InChIInChI=1S/C19H16N6/c1-3-25(4-2)18-7-5-17(6-8-18)23-24-19-15(12-21)9-14(11-20)10-16(19)13-22/h5-10H,3-4H2,1-2H3/b24-23+
InChIKeyLMGBYUPVJBFKNZ-WCWDXBQESA-N
MW328.38 g/mol
LogP4.56
Rot. Bonds5

About 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile

2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile (PubChem CID 71443433) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile
PubChem CID71443433
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile
SMILESCCN(CC)c1ccc(/N=N/c2c(C#N)cc(C#N)cc2C#N)cc1
InChIInChI=1S/C19H16N6/c1-3-25(4-2)18-7-5-17(6-8-18)23-24-19-15(12-21)9-14(11-20)10-16(19)13-22/h5-10H,3-4H2,1-2H3/b24-23+
InChIKeyLMGBYUPVJBFKNZ-WCWDXBQESA-N
XLogP4.56
TPSA99.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile (CID 71443433) is 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile is CCN(CC)c1ccc(/N=N/c2c(C#N)cc(C#N)cc2C#N)cc1.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile?
The InChIKey is LMGBYUPVJBFKNZ-WCWDXBQESA-N. The full InChI is InChI=1S/C19H16N6/c1-3-25(4-2)18-7-5-17(6-8-18)23-24-19-15(12-21)9-14(11-20)10-16(19)13-22/h5-10H,3-4H2,1-2H3/b24-23+.
What are the key properties of 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile?
2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile has a molecular weight of 328.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]diazenyl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 71443433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).