N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine

C22H28N2 — CID 10758082

IUPACN,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine
SMILESCC(C)(C)/N=C(C(=N/C(C)(C)C)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H28N2/c1-21(2,3)23-19(17-13-9-7-10-14-17)20(24-22(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19+,24-20+
InChIKeyUEXWRRSBISZIPW-BLVCXSLXSA-N
MW320.48 g/mol
LogP5.56
Rot. Bonds3

About N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine

N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine (PubChem CID 10758082) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine
PubChem CID10758082
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine
SMILESCC(C)(C)/N=C(C(=N/C(C)(C)C)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H28N2/c1-21(2,3)23-19(17-13-9-7-10-14-17)20(24-22(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19+,24-20+
InChIKeyUEXWRRSBISZIPW-BLVCXSLXSA-N
XLogP5.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine?
The IUPAC name of N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine (CID 10758082) is N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine.
What is the SMILES notation for N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine?
The canonical SMILES for N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine is CC(C)(C)/N=C(C(=N/C(C)(C)C)/c1ccccc1)\c1ccccc1.
What is the InChIKey of N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine?
The InChIKey is UEXWRRSBISZIPW-BLVCXSLXSA-N. The full InChI is InChI=1S/C22H28N2/c1-21(2,3)23-19(17-13-9-7-10-14-17)20(24-22(4,5)6)18-15-11-8-12-16-18/h7-16H,1-6H3/b23-19+,24-20+.
What are the key properties of N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine?
N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine has a molecular weight of 320.48 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-1,2-diphenylethane-1,2-diimine is sourced from PubChem (CID 10758082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).