bis[4-(4-tert-butylphenoxy)phenyl]diazene

C32H34N2O2 — CID 86182593

IUPACbis[4-(4-tert-butylphenoxy)phenyl]diazene
SMILESCC(C)(C)c1ccc(Oc2ccc(/N=N/c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N2O2/c1-31(2,3)23-7-15-27(16-8-23)35-29-19-11-25(12-20-29)33-34-26-13-21-30(22-14-26)36-28-17-9-24(10-18-28)32(4,5)6/h7-22H,1-6H3/b34-33+
InChIKeyUUIHQALDSXIIGO-JEIPZWNWSA-N
MW478.64 g/mol
LogP10.28
Rot. Bonds6

About bis[4-(4-tert-butylphenoxy)phenyl]diazene

bis[4-(4-tert-butylphenoxy)phenyl]diazene (PubChem CID 86182593) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenoxy)phenyl]diazene.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenoxy)phenyl]diazene
PubChem CID86182593
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Namebis[4-(4-tert-butylphenoxy)phenyl]diazene
SMILESCC(C)(C)c1ccc(Oc2ccc(/N=N/c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N2O2/c1-31(2,3)23-7-15-27(16-8-23)35-29-19-11-25(12-20-29)33-34-26-13-21-30(22-14-26)36-28-17-9-24(10-18-28)32(4,5)6/h7-22H,1-6H3/b34-33+
InChIKeyUUIHQALDSXIIGO-JEIPZWNWSA-N
XLogP10.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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[4-(4-tert-butylphenoxy)phenyl]diazene?
The IUPAC name of bis[4-(4-tert-butylphenoxy)phenyl]diazene (CID 86182593) is bis[4-(4-tert-butylphenoxy)phenyl]diazene.
What is the SMILES notation for bis[4-(4-tert-butylphenoxy)phenyl]diazene?
The canonical SMILES for bis[4-(4-tert-butylphenoxy)phenyl]diazene is CC(C)(C)c1ccc(Oc2ccc(/N=N/c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-tert-butylphenoxy)phenyl]diazene?
The InChIKey is UUIHQALDSXIIGO-JEIPZWNWSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-31(2,3)23-7-15-27(16-8-23)35-29-19-11-25(12-20-29)33-34-26-13-21-30(22-14-26)36-28-17-9-24(10-18-28)32(4,5)6/h7-22H,1-6H3/b34-33+.
What are the key properties of bis[4-(4-tert-butylphenoxy)phenyl]diazene?
bis[4-(4-tert-butylphenoxy)phenyl]diazene has a molecular weight of 478.64 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenoxy)phenyl]diazene is sourced from PubChem (CID 86182593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).