bis(3,5-ditert-butylphenyl)diazene

C28H42N2 — CID 12743687

IUPACbis(3,5-ditert-butylphenyl)diazene
SMILESCC(C)(C)c1cc(/N=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H42N2/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-30-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18H,1-12H3/b30-29+
InChIKeySOCNVTNVHBWFKC-QVIHXGFCSA-N
MW406.66 g/mol
LogP9.29
Rot. Bonds2

About bis(3,5-ditert-butylphenyl)diazene

bis(3,5-ditert-butylphenyl)diazene (PubChem CID 12743687) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is bis(3,5-ditert-butylphenyl)diazene.

Molecular Properties

Compound Namebis(3,5-ditert-butylphenyl)diazene
PubChem CID12743687
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Namebis(3,5-ditert-butylphenyl)diazene
SMILESCC(C)(C)c1cc(/N=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H42N2/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-30-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18H,1-12H3/b30-29+
InChIKeySOCNVTNVHBWFKC-QVIHXGFCSA-N
XLogP9.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 59.29
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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Frequently Asked Questions

What is the IUPAC name of bis(3,5-ditert-butylphenyl)diazene?
The IUPAC name of bis(3,5-ditert-butylphenyl)diazene (CID 12743687) is bis(3,5-ditert-butylphenyl)diazene.
What is the SMILES notation for bis(3,5-ditert-butylphenyl)diazene?
The canonical SMILES for bis(3,5-ditert-butylphenyl)diazene is CC(C)(C)c1cc(/N=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of bis(3,5-ditert-butylphenyl)diazene?
The InChIKey is SOCNVTNVHBWFKC-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H42N2/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-30-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18H,1-12H3/b30-29+.
What are the key properties of bis(3,5-ditert-butylphenyl)diazene?
bis(3,5-ditert-butylphenyl)diazene has a molecular weight of 406.66 g/mol, XLogP of 9.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-ditert-butylphenyl)diazene is sourced from PubChem (CID 12743687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).