(3,5-diethylphenyl)-phenyldiazene

C16H18N2 — CID 154395321

IUPAC(3,5-diethylphenyl)-phenyldiazene
SMILESCCc1cc(CC)cc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-3-13-10-14(4-2)12-16(11-13)18-17-15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3/b18-17+
InChIKeyNQOFIQUFGTVMIC-ISLYRVAYSA-N
MW238.33 g/mol
LogP5.23
Rot. Bonds4

About (3,5-diethylphenyl)-phenyldiazene

(3,5-diethylphenyl)-phenyldiazene (PubChem CID 154395321) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3,5-diethylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(3,5-diethylphenyl)-phenyldiazene
PubChem CID154395321
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(3,5-diethylphenyl)-phenyldiazene
SMILESCCc1cc(CC)cc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-3-13-10-14(4-2)12-16(11-13)18-17-15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3/b18-17+
InChIKeyNQOFIQUFGTVMIC-ISLYRVAYSA-N
XLogP5.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
ethylcyclodecapentaene
CID 90861705
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
CID 87875436
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine;nickel
CID 87875435
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
CID 137266716
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
CID 134551069
lithium;hydride;1,3,5-triethylbenzene
CID 174873379

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-phenyldiazene?
The IUPAC name of (3,5-diethylphenyl)-phenyldiazene (CID 154395321) is (3,5-diethylphenyl)-phenyldiazene.
What is the SMILES notation for (3,5-diethylphenyl)-phenyldiazene?
The canonical SMILES for (3,5-diethylphenyl)-phenyldiazene is CCc1cc(CC)cc(/N=N/c2ccccc2)c1.
What is the InChIKey of (3,5-diethylphenyl)-phenyldiazene?
The InChIKey is NQOFIQUFGTVMIC-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-13-10-14(4-2)12-16(11-13)18-17-15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3/b18-17+.
What are the key properties of (3,5-diethylphenyl)-phenyldiazene?
(3,5-diethylphenyl)-phenyldiazene has a molecular weight of 238.33 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-phenyldiazene is sourced from PubChem (CID 154395321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).