(3-tert-butylphenyl)-phenyldiazene

C16H18N2 — CID 141467290

IUPAC(3-tert-butylphenyl)-phenyldiazene
SMILESCC(C)(C)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-16(2,3)13-8-7-11-15(12-13)18-17-14-9-5-4-6-10-14/h4-12H,1-3H3/b18-17+
InChIKeyNMODPXUCGZLEQE-ISLYRVAYSA-N
MW238.33 g/mol
LogP5.40
Rot. Bonds2

About (3-tert-butylphenyl)-phenyldiazene

(3-tert-butylphenyl)-phenyldiazene (PubChem CID 141467290) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3-tert-butylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(3-tert-butylphenyl)-phenyldiazene
PubChem CID141467290
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(3-tert-butylphenyl)-phenyldiazene
SMILESCC(C)(C)c1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C16H18N2/c1-16(2,3)13-8-7-11-15(12-13)18-17-14-9-5-4-6-10-14/h4-12H,1-3H3/b18-17+
InChIKeyNMODPXUCGZLEQE-ISLYRVAYSA-N
XLogP5.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.33
LogP ≤ 55.40
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-tert-butyl-3-isocyanatobenzene
CID 22311124
(4-tert-butyl-2-iodophenyl)-phenyldiazene
CID 11325979
N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine
CID 177288460
alumane;1,3-ditert-butylbenzene
CID 174392215
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
diphenyldiazene;hydrofluoride
CID 174857584
phenyl-[2-(2-phenylpropan-2-yl)phenyl]diazene
CID 88596726
3-phenyldiazenylbenzoic acid
CID 555783
[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 142659934
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium
CID 2775280
bis(diphenyldiazene);uranium;vanadium
CID 158886927

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-phenyldiazene?
The IUPAC name of (3-tert-butylphenyl)-phenyldiazene (CID 141467290) is (3-tert-butylphenyl)-phenyldiazene.
What is the SMILES notation for (3-tert-butylphenyl)-phenyldiazene?
The canonical SMILES for (3-tert-butylphenyl)-phenyldiazene is CC(C)(C)c1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of (3-tert-butylphenyl)-phenyldiazene?
The InChIKey is NMODPXUCGZLEQE-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2/c1-16(2,3)13-8-7-11-15(12-13)18-17-14-9-5-4-6-10-14/h4-12H,1-3H3/b18-17+.
What are the key properties of (3-tert-butylphenyl)-phenyldiazene?
(3-tert-butylphenyl)-phenyldiazene has a molecular weight of 238.33 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-phenyldiazene is sourced from PubChem (CID 141467290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).