(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium

C20H26N2O — CID 2775280

IUPAC(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium
SMILESCC(C)(C)c1cccc(/N=[N+](\[O-])c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)15-9-7-11-17(13-15)21-22(23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,1-6H3/b22-21-
InChIKeyHSVGDUHQFYXDIY-DQRAZIAOSA-N
MW310.44 g/mol
LogP6.21
Rot. Bonds2

About (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium

(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium (PubChem CID 2775280) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium
PubChem CID2775280
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium
SMILESCC(C)(C)c1cccc(/N=[N+](\[O-])c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)15-9-7-11-17(13-15)21-22(23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,1-6H3/b22-21-
InChIKeyHSVGDUHQFYXDIY-DQRAZIAOSA-N
XLogP6.21
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.21
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium?
The IUPAC name of (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium (CID 2775280) is (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium.
What is the SMILES notation for (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium?
The canonical SMILES for (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium is CC(C)(C)c1cccc(/N=[N+](\[O-])c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium?
The InChIKey is HSVGDUHQFYXDIY-DQRAZIAOSA-N. The full InChI is InChI=1S/C20H26N2O/c1-19(2,3)15-9-7-11-17(13-15)21-22(23)18-12-8-10-16(14-18)20(4,5)6/h7-14H,1-6H3/b22-21-.
What are the key properties of (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium?
(3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium has a molecular weight of 310.44 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-(3-tert-butylphenyl)imino-oxidoazanium is sourced from PubChem (CID 2775280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).