N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline

C26H25N5 — CID 118284525

IUPACN-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
SMILESCCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N5/c1-4-31(3)22-15-13-21(14-16-22)28-30-26-18-17-25(23-7-5-6-8-24(23)26)29-27-20-11-9-19(2)10-12-20/h5-18H,4H2,1-3H3/b29-27+,30-28+
InChIKeyLMQDRYIMSWXXGE-QAVVBOBSSA-N
MW407.52 g/mol
LogP8.44
Rot. Bonds6

About N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline

N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline (PubChem CID 118284525) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
PubChem CID118284525
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC NameN-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
SMILESCCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N5/c1-4-31(3)22-15-13-21(14-16-22)28-30-26-18-17-25(23-7-5-6-8-24(23)26)29-27-20-11-9-19(2)10-12-20/h5-18H,4H2,1-3H3/b29-27+,30-28+
InChIKeyLMQDRYIMSWXXGE-QAVVBOBSSA-N
XLogP8.44
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The IUPAC name of N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline (CID 118284525) is N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline.
What is the SMILES notation for N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The canonical SMILES for N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline is CCN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
The InChIKey is LMQDRYIMSWXXGE-QAVVBOBSSA-N. The full InChI is InChI=1S/C26H25N5/c1-4-31(3)22-15-13-21(14-16-22)28-30-26-18-17-25(23-7-5-6-8-24(23)26)29-27-20-11-9-19(2)10-12-20/h5-18H,4H2,1-3H3/b29-27+,30-28+.
What are the key properties of N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline?
N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline has a molecular weight of 407.52 g/mol, XLogP of 8.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline is sourced from PubChem (CID 118284525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).