N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine

C23H18N6 — CID 88874820

IUPACN-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine
SMILESC=Nc1ccc(/N=N/c2ccc(/N=N/c3cccnc3)cc2C)c2ccccc12
InChIInChI=1S/C23H18N6/c1-16-14-17(26-27-18-6-5-13-25-15-18)9-10-21(16)28-29-23-12-11-22(24-2)19-7-3-4-8-20(19)23/h3-15H,2H2,1H3/b27-26+,29-28+
InChIKeyOVYAIDYPDPLXDD-ZDXBJJIESA-N
MW378.44 g/mol
LogP7.71
Rot. Bonds5

About N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine

N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine (PubChem CID 88874820) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine
PubChem CID88874820
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC NameN-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine
SMILESC=Nc1ccc(/N=N/c2ccc(/N=N/c3cccnc3)cc2C)c2ccccc12
InChIInChI=1S/C23H18N6/c1-16-14-17(26-27-18-6-5-13-25-15-18)9-10-21(16)28-29-23-12-11-22(24-2)19-7-3-4-8-20(19)23/h3-15H,2H2,1H3/b27-26+,29-28+
InChIKeyOVYAIDYPDPLXDD-ZDXBJJIESA-N
XLogP7.71
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine?
The IUPAC name of N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine (CID 88874820) is N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine?
The canonical SMILES for N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine is C=Nc1ccc(/N=N/c2ccc(/N=N/c3cccnc3)cc2C)c2ccccc12.
What is the InChIKey of N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine?
The InChIKey is OVYAIDYPDPLXDD-ZDXBJJIESA-N. The full InChI is InChI=1S/C23H18N6/c1-16-14-17(26-27-18-6-5-13-25-15-18)9-10-21(16)28-29-23-12-11-22(24-2)19-7-3-4-8-20(19)23/h3-15H,2H2,1H3/b27-26+,29-28+.
What are the key properties of N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine?
N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine has a molecular weight of 378.44 g/mol, XLogP of 7.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-4-(pyridin-3-yldiazenyl)phenyl]diazenyl]naphthalen-1-yl]methanimine is sourced from PubChem (CID 88874820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).