4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile

C25H20N6 — CID 154663439

IUPAC4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile
SMILESCc1cc(/N=N/c2ccc(N)c3ccccc23)c(C)cc1/N=N/c1ccc(C#N)cc1
InChIInChI=1S/C25H20N6/c1-16-14-25(31-29-23-12-11-22(27)20-5-3-4-6-21(20)23)17(2)13-24(16)30-28-19-9-7-18(15-26)8-10-19/h3-14H,27H2,1-2H3/b30-28+,31-29+
InChIKeyIZVZHKIAJYDCGE-FUEWEDNTSA-N
MW404.48 g/mol
LogP7.74
Rot. Bonds4

About 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile

4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile (PubChem CID 154663439) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile
PubChem CID154663439
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile
SMILESCc1cc(/N=N/c2ccc(N)c3ccccc23)c(C)cc1/N=N/c1ccc(C#N)cc1
InChIInChI=1S/C25H20N6/c1-16-14-25(31-29-23-12-11-22(27)20-5-3-4-6-21(20)23)17(2)13-24(16)30-28-19-9-7-18(15-26)8-10-19/h3-14H,27H2,1-2H3/b30-28+,31-29+
InChIKeyIZVZHKIAJYDCGE-FUEWEDNTSA-N
XLogP7.74
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile?
The IUPAC name of 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile (CID 154663439) is 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile?
The canonical SMILES for 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile is Cc1cc(/N=N/c2ccc(N)c3ccccc23)c(C)cc1/N=N/c1ccc(C#N)cc1.
What is the InChIKey of 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile?
The InChIKey is IZVZHKIAJYDCGE-FUEWEDNTSA-N. The full InChI is InChI=1S/C25H20N6/c1-16-14-25(31-29-23-12-11-22(27)20-5-3-4-6-21(20)23)17(2)13-24(16)30-28-19-9-7-18(15-26)8-10-19/h3-14H,27H2,1-2H3/b30-28+,31-29+.
What are the key properties of 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile?
4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile has a molecular weight of 404.48 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-aminonaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzonitrile is sourced from PubChem (CID 154663439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).