[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene

C17H20N2 — CID 134551069

IUPAC[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
SMILESCC(C)(C)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-17(2,3)13-14-9-11-16(12-10-14)19-18-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/b19-18+
InChIKeyHKBJGSSZJXFHEZ-VHEBQXMUSA-N
MW252.36 g/mol
LogP5.69
Rot. Bonds3

About [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene

[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene (PubChem CID 134551069) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
PubChem CID134551069
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
SMILESCC(C)(C)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-17(2,3)13-14-9-11-16(12-10-14)19-18-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/b19-18+
InChIKeyHKBJGSSZJXFHEZ-VHEBQXMUSA-N
XLogP5.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.69
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

1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2,2-dimethylpropylbenzene;methanol
CID 157125736
[4-(chloromethyl)phenyl]-phenyldiazene
CID 86122075
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 88827442
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
(3,5-diethylphenyl)-phenyldiazene
CID 154395321
4,4-dimethyl-2-phenyldiazenylpentanenitrile
CID 67922022

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene?
The IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene (CID 134551069) is [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene.
What is the SMILES notation for [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene?
The canonical SMILES for [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene is CC(C)(C)Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene?
The InChIKey is HKBJGSSZJXFHEZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2,3)13-14-9-11-16(12-10-14)19-18-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/b19-18+.
What are the key properties of [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene?
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene has a molecular weight of 252.36 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)phenyl]-phenyldiazene is sourced from PubChem (CID 134551069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).